CID 2139147

618072-91-6

Structural Information

Molecular Formula
C23H21N3O3S2
SMILES
CC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)C(C)C)/C2=O
InChI
InChI=1S/C23H21N3O3S2/c1-13(2)26-22(29)20(31-23(26)30)19-15-9-5-7-11-17(15)25(21(19)28)12-18(27)24-16-10-6-4-8-14(16)3/h4-11,13H,12H2,1-3H3,(H,24,27)/b20-19-
InChIKey
IKIULHJXBXKYIN-VXPUYCOJSA-N
Compound name
N-(2-methylphenyl)-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

451.10245 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.10973 206.6
[M+Na]+ 474.09167 216.2
[M+NH4]+ 469.13627 212.4
[M+K]+ 490.06561 210.0
[M-H]- 450.09517 210.1
[M+Na-2H]- 472.07712 209.2
[M]+ 451.10190 209.5
[M]- 451.10300 209.5
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.