CID 3089924

71002-88-5

Structural Information

Molecular Formula
C13H10N4O2
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])N
InChI
InChI=1S/C13H10N4O2/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13/h1-7H,14H2,(H,15,16)
InChIKey
VQAXRPAGHNBDHU-UHFFFAOYSA-N
Compound name
4-(6-nitro-1H-benzimidazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

24
Patents

254.08037 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08765 151.1
[M+Na]+ 277.06959 159.9
[M-H]- 253.07309 155.7
[M+NH4]+ 272.11419 166.2
[M+K]+ 293.04353 150.3
[M+H-H2O]+ 237.07763 147.3
[M+HCOO]- 299.07857 175.1
[M+CH3COO]- 313.09422 188.1
[M+Na-2H]- 275.05504 160.1
[M]+ 254.07982 148.3
[M]- 254.08092 148.3
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.