CID 460590

3-[(4,5-diphenyl-(1h)-imidazole-2-yl)-mercaptoacetylhydrazono)-2-indolinone

Structural Information

Molecular Formula
C25H19N5O2S
SMILES
C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)N=NC3=C(NC4=CC=CC=C43)O)C5=CC=CC=C5
InChI
InChI=1S/C25H19N5O2S/c31-20(29-30-23-18-13-7-8-14-19(18)26-24(23)32)15-33-25-27-21(16-9-3-1-4-10-16)22(28-25)17-11-5-2-6-12-17/h1-14,26,32H,15H2,(H,27,28)
InChIKey
PFGKZPYONNABDC-UHFFFAOYSA-N
Compound name
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.12595 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.13323 203.2
[M+Na]+ 476.11517 211.8
[M-H]- 452.11867 213.6
[M+NH4]+ 471.15977 211.7
[M+K]+ 492.08911 203.4
[M+H-H2O]+ 436.12321 193.7
[M+HCOO]- 498.12415 221.1
[M+CH3COO]- 512.13980 212.0
[M+Na-2H]- 474.10062 204.3
[M]+ 453.12540 206.3
[M]- 453.12650 206.3
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.