CID 2139164

618075-88-0

Structural Information

Molecular Formula
C24H21N3O3S2
SMILES
CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC=C)/C2=O)C
InChI
InChI=1S/C24H21N3O3S2/c1-4-11-26-23(30)21(32-24(26)31)20-17-7-5-6-8-18(17)27(22(20)29)13-19(28)25-16-10-9-14(2)15(3)12-16/h4-10,12H,1,11,13H2,2-3H3,(H,25,28)/b21-20-
InChIKey
MYXSOAWBGOLWLI-MRCUWXFGSA-N
Compound name
N-(3,4-dimethylphenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.10245 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.10973 212.6
[M+Na]+ 486.09167 221.8
[M-H]- 462.09517 221.0
[M+NH4]+ 481.13627 224.2
[M+K]+ 502.06561 213.0
[M+H-H2O]+ 446.09971 206.6
[M+HCOO]- 508.10065 221.0
[M+CH3COO]- 522.11630 234.9
[M+Na-2H]- 484.07712 204.4
[M]+ 463.10190 215.8
[M]- 463.10300 215.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.