PubChemLite - 618076-02-1 (C24H23N3O3S2)

Structural Information

Molecular Formula

SMILES

CCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(C=CC=C4C)C)/SC1=S

InChI

InChI=1S/C24H23N3O3S2/c1-4-12-26-23(30)21(32-24(26)31)19-16-10-5-6-11-17(16)27(22(19)29)13-18(28)25-20-14(2)8-7-9-15(20)3/h5-11H,4,12-13H2,1-3H3,(H,25,28)/b21-19-

InChIKey

RHMZWNLFLBFMTA-VZCXRCSSSA-N

Compound name

N-(2,6-dimethylphenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]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]+	466.12535	212.7
[M+Na]+	488.10729	221.7
[M-H]-	464.11079	221.2
[M+NH4]+	483.15189	224.4
[M+K]+	504.08123	213.5
[M+H-H2O]+	448.11533	206.7
[M+HCOO]-	510.11627	221.0
[M+CH3COO]-	524.13192	235.5
[M+Na-2H]-	486.09274	204.6
[M]+	465.11752	216.6
[M]-	465.11862	216.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.12535

212.7

[M+Na]+

488.10729

221.7

[M-H]-

464.11079

221.2

[M+NH4]+

483.15189

224.4

[M+K]+

504.08123

213.5

[M+H-H2O]+

448.11533

206.7

[M+HCOO]-

510.11627

221.0

[M+CH3COO]-

524.13192

235.5

[M+Na-2H]-

486.09274

204.6

[M]+

465.11752

216.6

[M]-

465.11862

216.6

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

618076-02-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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