CID 5912587

N-(2-methylphenyl)-2-{(3z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1h-indol-1-yl}acetamide

Structural Information

Molecular Formula
C28H23N3O3S2
SMILES
CC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CCC5=CC=CC=C5)/C2=O
InChI
InChI=1S/C28H23N3O3S2/c1-18-9-5-7-13-21(18)29-23(32)17-31-22-14-8-6-12-20(22)24(26(31)33)25-27(34)30(28(35)36-25)16-15-19-10-3-2-4-11-19/h2-14H,15-17H2,1H3,(H,29,32)/b25-24-
InChIKey
JXKBKJNJLHHWMT-IZHYLOQSSA-N
Compound name
N-(2-methylphenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-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

513.1181 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.12538 224.5
[M+Na]+ 536.10732 232.5
[M-H]- 512.11082 235.6
[M+NH4]+ 531.15192 233.5
[M+K]+ 552.08126 223.5
[M+H-H2O]+ 496.11536 217.2
[M+HCOO]- 558.11630 233.3
[M+CH3COO]- 572.13195 231.7
[M+Na-2H]- 534.09277 217.4
[M]+ 513.11755 226.9
[M]- 513.11865 226.9
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.