CID 2139176

618077-06-8

Structural Information

Molecular Formula
C22H18ClN3O3S2
SMILES
CC(C)N1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4Cl)/SC1=S
InChI
InChI=1S/C22H18ClN3O3S2/c1-12(2)26-21(29)19(31-22(26)30)18-13-7-3-6-10-16(13)25(20(18)28)11-17(27)24-15-9-5-4-8-14(15)23/h3-10,12H,11H2,1-2H3,(H,24,27)/b19-18-
InChIKey
ZRGWOTDHKNWBGB-HNENSFHCSA-N
Compound name
N-(2-chlorophenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-propan-2-yl-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

471.04782 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.05510 208.7
[M+Na]+ 494.03704 219.4
[M+NH4]+ 489.08164 214.9
[M+K]+ 510.01098 212.4
[M-H]- 470.04054 212.3
[M+Na-2H]- 492.02249 211.6
[M]+ 471.04727 212.1
[M]- 471.04837 212.1
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.