CID 11971490

Brn 5583392

Structural Information

Molecular Formula
C14H12N4O2
SMILES
C1=CC=C(C=C1)NCN2C=NC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H12N4O2/c19-18(20)12-6-7-13-14(8-12)17(10-16-13)9-15-11-4-2-1-3-5-11/h1-8,10,15H,9H2
InChIKey
NMNLEAUDMGPBTD-UHFFFAOYSA-N
Compound name
N-[(6-nitrobenzimidazol-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.09604 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10332 155.5
[M+Na]+ 291.08526 163.2
[M-H]- 267.08876 161.2
[M+NH4]+ 286.12986 170.5
[M+K]+ 307.05920 154.6
[M+H-H2O]+ 251.09330 150.7
[M+HCOO]- 313.09424 181.2
[M+CH3COO]- 327.10989 193.3
[M+Na-2H]- 289.07071 165.9
[M]+ 268.09549 155.2
[M]- 268.09659 155.2
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.