CID 9555904

Nsc650811

Structural Information

Molecular Formula
C24H19N5O3S
SMILES
C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C24H19N5O3S/c30-21(28-25-15-17-11-13-20(14-12-17)29(31)32)16-33-24-26-22(18-7-3-1-4-8-18)23(27-24)19-9-5-2-6-10-19/h1-15H,16H2,(H,26,27)(H,28,30)/b25-15+
InChIKey
MPOFVEKUUXMBJY-MFKUBSTISA-N
Compound name
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.12085 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.12813 204.3
[M+Na]+ 480.11007 207.4
[M-H]- 456.11357 214.2
[M+NH4]+ 475.15467 209.6
[M+K]+ 496.08401 195.6
[M+H-H2O]+ 440.11811 196.9
[M+HCOO]- 502.11905 223.2
[M+CH3COO]- 516.13470 226.9
[M+Na-2H]- 478.09552 208.1
[M]+ 457.12030 202.3
[M]- 457.12140 202.3
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.