CID 278812

10173-74-7

Structural Information

Molecular Formula
C15H13N3O2
SMILES
CC1=CC2=C(C=C1C)N=C(N2)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C15H13N3O2/c1-9-7-12-13(8-10(9)2)17-15(16-12)11-5-3-4-6-14(11)18(19)20/h3-8H,1-2H3,(H,16,17)
InChIKey
JMZDHQKQYPBOSV-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2-(2-nitrophenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10077 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 158.8
[M+Na]+ 290.08999 168.5
[M-H]- 266.09349 163.9
[M+NH4]+ 285.13459 174.3
[M+K]+ 306.06393 158.9
[M+H-H2O]+ 250.09803 155.1
[M+HCOO]- 312.09897 181.7
[M+CH3COO]- 326.11462 191.1
[M+Na-2H]- 288.07544 166.1
[M]+ 267.10022 158.6
[M]- 267.10132 158.6
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.