CID 9563122

2-(2-methyl-1h-benzimidazol-1-yl)-n'-(3-nitrobenzylidene)acetohydrazide

Structural Information

Molecular Formula
C17H15N5O3
SMILES
CC1=NC2=CC=CC=C2N1CC(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H15N5O3/c1-12-19-15-7-2-3-8-16(15)21(12)11-17(23)20-18-10-13-5-4-6-14(9-13)22(24)25/h2-10H,11H2,1H3,(H,20,23)/b18-10+
InChIKey
YPXOADTZZHPZLJ-VCHYOVAHSA-N
Compound name
2-(2-methylbenzimidazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.12478 174.4
[M+Na]+ 360.10672 187.8
[M+NH4]+ 355.15132 180.7
[M+K]+ 376.08066 185.4
[M-H]- 336.11022 179.6
[M+Na-2H]- 358.09217 182.0
[M]+ 337.11695 177.4
[M]- 337.11805 177.4
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.