CID 165430222

2328-07-6

Structural Information

Molecular Formula
C15H12N6O3
SMILES
C1=CC=C2C(=C1)NC(=N2)/C(=N/NC3=CC=CC=C3[N+](=O)[O-])/C(=O)N
InChI
InChI=1S/C15H12N6O3/c16-14(22)13(15-17-9-5-1-2-6-10(9)18-15)20-19-11-7-3-4-8-12(11)21(23)24/h1-8,19H,(H2,16,22)(H,17,18)/b20-13+
InChIKey
PEYHCOCEEQZSFG-DEDYPNTBSA-N
Compound name
(2Z)-2-(1H-benzimidazol-2-yl)-2-[(2-nitrophenyl)hydrazinylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09708 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10436 164.5
[M+Na]+ 347.08630 169.4
[M-H]- 323.08980 169.8
[M+NH4]+ 342.13090 175.8
[M+K]+ 363.06024 161.2
[M+H-H2O]+ 307.09434 159.2
[M+HCOO]- 369.09528 189.8
[M+CH3COO]- 383.11093 206.8
[M+Na-2H]- 345.07175 173.4
[M]+ 324.09653 160.8
[M]- 324.09763 160.8
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.