CID 5387526

Nsc624430

Structural Information

Molecular Formula
C22H15N5O5
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H15N5O5/c28-22(15-6-2-1-3-7-15)25-20(12-14-5-4-8-16(11-14)26(29)30)21-23-18-10-9-17(27(31)32)13-19(18)24-21/h1-13H,(H,23,24)(H,25,28)/b20-12-
InChIKey
RKPSZHPBHMZRQY-NDENLUEZSA-N
Compound name
N-[(Z)-1-(6-nitro-1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.10733 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.11461 194.6
[M+Na]+ 452.09655 196.1
[M-H]- 428.10005 201.4
[M+NH4]+ 447.14115 199.5
[M+K]+ 468.07049 182.4
[M+H-H2O]+ 412.10459 192.0
[M+HCOO]- 474.10553 215.2
[M+CH3COO]- 488.12118 213.9
[M+Na-2H]- 450.08200 202.7
[M]+ 429.10678 189.3
[M]- 429.10788 189.3
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.