PubChemLite - 2-[(3z)-3-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]-n-(2,4-dimethoxyphenyl)acetamide (C25H25N3O5S2)

Structural Information

Molecular Formula

SMILES

CCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(C=C(C=C4)OC)OC)/SC1=S

InChI

InChI=1S/C25H25N3O5S2/c1-4-5-12-27-24(31)22(35-25(27)34)21-16-8-6-7-9-18(16)28(23(21)30)14-20(29)26-17-11-10-15(32-2)13-19(17)33-3/h6-11,13H,4-5,12,14H2,1-3H3,(H,26,29)/b22-21-

InChIKey

KLZDQQLIDDUVRQ-DQRAZIAOSA-N

Compound name

2-[(3Z)-3-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	512.13085	221.9
[M+Na]+	534.11279	229.4
[M-H]-	510.11629	230.0
[M+NH4]+	529.15739	231.3
[M+K]+	550.08673	222.6
[M+H-H2O]+	494.12083	215.6
[M+HCOO]-	556.12177	230.2
[M+CH3COO]-	570.13742	242.7
[M+Na-2H]-	532.09824	214.5
[M]+	511.12302	228.8
[M]-	511.12412	228.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

512.13085

221.9

[M+Na]+

534.11279

229.4

[M-H]-

510.11629

230.0

[M+NH4]+

529.15739

231.3

[M+K]+

550.08673

222.6

[M+H-H2O]+

494.12083

215.6

[M+HCOO]-

556.12177

230.2

[M+CH3COO]-

570.13742

242.7

[M+Na-2H]-

532.09824

214.5

[M]+

511.12302

228.8

[M]-

511.12412

228.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-[(3z)-3-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]-n-(2,4-dimethoxyphenyl)acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe