CID 9555903

Nsc650810

Structural Information

Molecular Formula
C24H19ClN4OS
SMILES
C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)N/N=C/C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C24H19ClN4OS/c25-20-13-11-17(12-14-20)15-26-29-21(30)16-31-24-27-22(18-7-3-1-4-8-18)23(28-24)19-9-5-2-6-10-19/h1-15H,16H2,(H,27,28)(H,29,30)/b26-15+
InChIKey
AJNINWQARFQUPJ-CVKSISIWSA-N
Compound name
N-[(E)-(4-chlorophenyl)methylideneamino]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.0968 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.10408 205.0
[M+Na]+ 469.08602 212.3
[M-H]- 445.08952 215.1
[M+NH4]+ 464.13062 213.4
[M+K]+ 485.05996 202.7
[M+H-H2O]+ 429.09406 194.4
[M+HCOO]- 491.09500 218.9
[M+CH3COO]- 505.11065 213.3
[M+Na-2H]- 467.07147 205.3
[M]+ 446.09625 207.9
[M]- 446.09735 207.9
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.