CID 102786

Einecs 262-507-5

Structural Information

Molecular Formula
C15H12N6O3
SMILES
C1=CC=C2C(=C1)NC(=N2)C(C(=O)N)N=NC3=CC=CC=C3[N+](=O)[O-]
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/h1-8,13H,(H2,16,22)(H,17,18)
InChIKey
UJLHDEXRNCZGJN-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-2-[(2-nitrophenyl)diazenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

324.09708 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10436 165.5
[M+Na]+ 347.08630 170.9
[M-H]- 323.08980 172.2
[M+NH4]+ 342.13090 177.5
[M+K]+ 363.06024 163.4
[M+H-H2O]+ 307.09434 160.0
[M+HCOO]- 369.09528 192.3
[M+CH3COO]- 383.11093 209.2
[M+Na-2H]- 345.07175 174.7
[M]+ 324.09653 163.6
[M]- 324.09763 163.6
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.