N-(2,6-dimethylphenyl)-2-[(3z)-3-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]acetamide (C22H19N3O3S2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)C)/C2=O

InChI

InChI=1S/C22H19N3O3S2/c1-12-7-6-8-13(2)18(12)23-16(26)11-25-15-10-5-4-9-14(15)17(20(25)27)19-21(28)24(3)22(29)30-19/h4-10H,11H2,1-3H3,(H,23,26)/b19-17-

InChIKey

BLMHIHRFMZZYAF-ZPHPHTNESA-N

Compound name

N-(2,6-dimethylphenyl)-2-[(3Z)-3-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-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]+	438.094076	204.8
[M+Na]+	460.076018	214.8
[M-H]-	436.079524	213.7
[M+NH4]+	455.120623	217.7
[M+K]+	476.049958	207.0
[M+H-H2O]+	420.084060	199.2
[M+HCOO]-	482.085001	213.8
[M+CH3COO]-	496.100651	213.9
[M+Na-2H]-	458.061466	197.5
[M]+	437.08625142	208.2
[M]-	437.08734858	208.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

438.094076

204.8

[M+Na]+

460.076018

214.8

[M-H]-

436.079524

213.7

[M+NH4]+

455.120623

217.7

[M+K]+

476.049958

207.0

[M+H-H2O]+

420.084060

199.2

[M+HCOO]-

482.085001

213.8

[M+CH3COO]-

496.100651

213.9

[M+Na-2H]-

458.061466

197.5

[M]+

437.08625142

208.2

[M]-

437.08734858

208.2

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

N-(2,6-dimethylphenyl)-2-[(3z)-3-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe