CID 2139178

618077-19-3

Structural Information

Molecular Formula
C22H16ClN3O3S2
SMILES
C=CCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4Cl)/SC1=S
InChI
InChI=1S/C22H16ClN3O3S2/c1-2-11-25-21(29)19(31-22(25)30)18-13-7-3-6-10-16(13)26(20(18)28)12-17(27)24-15-9-5-4-8-14(15)23/h2-10H,1,11-12H2,(H,24,27)/b19-18-
InChIKey
BAHOFDXDEHUPIZ-HNENSFHCSA-N
Compound name
N-(2-chlorophenyl)-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

469.03217 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.03945 209.5
[M+Na]+ 492.02139 220.5
[M+NH4]+ 487.06599 215.5
[M+K]+ 507.99533 212.5
[M-H]- 468.02489 213.0
[M+Na-2H]- 490.00684 212.3
[M]+ 469.03162 212.9
[M]- 469.03272 212.9
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.