CID 11971494

Brn 5594584

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CC1=CC=C(C=C1)NCN2C=NC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H14N4O2/c1-11-2-4-12(5-3-11)16-9-18-10-17-14-7-6-13(19(20)21)8-15(14)18/h2-8,10,16H,9H2,1H3
InChIKey
AEZJLJOBJAUMSG-UHFFFAOYSA-N
Compound name
4-methyl-N-[(6-nitrobenzimidazol-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.11166 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.118936 161.0
[M+Na]+ 305.100878 169.2
[M-H]- 281.104384 167.0
[M+NH4]+ 300.145483 175.8
[M+K]+ 321.074818 160.3
[M+H-H2O]+ 265.108920 156.3
[M+HCOO]- 327.109861 186.3
[M+CH3COO]- 341.125511 197.4
[M+Na-2H]- 303.086326 170.1
[M]+ 282.11111142 161.4
[M]- 282.11220858 161.4
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.