CID 5387525

Nsc624428

Structural Information

Molecular Formula
C22H17N5O3
SMILES
C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/NC(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C22H17N5O3/c23-16-10-8-15(9-11-16)22(28)26-20(13-14-4-3-5-17(12-14)27(29)30)21-24-18-6-1-2-7-19(18)25-21/h1-13H,23H2,(H,24,25)(H,26,28)/b20-13-
InChIKey
VVLMOCPBCDHIQY-MOSHPQCFSA-N
Compound name
4-amino-N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.13315 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.14043 188.5
[M+Na]+ 422.12237 192.5
[M-H]- 398.12587 195.3
[M+NH4]+ 417.16697 196.0
[M+K]+ 438.09631 181.6
[M+H-H2O]+ 382.13041 182.2
[M+HCOO]- 444.13135 209.9
[M+CH3COO]- 458.14700 217.0
[M+Na-2H]- 420.10782 194.4
[M]+ 399.13260 183.9
[M]- 399.13370 183.9
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.