CID 11971491

Brn 5605364

Structural Information

Molecular Formula
C14H11ClN4O2
SMILES
C1=CC=C(C(=C1)NCN2C=NC3=C2C=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C14H11ClN4O2/c15-11-3-1-2-4-12(11)16-8-18-9-17-13-6-5-10(19(20)21)7-14(13)18/h1-7,9,16H,8H2
InChIKey
BOFJCWUYKAOQCB-UHFFFAOYSA-N
Compound name
2-chloro-N-[(6-nitrobenzimidazol-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.05707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06435 162.6
[M+Na]+ 325.04629 179.0
[M+NH4]+ 320.09089 171.1
[M+K]+ 341.02023 175.0
[M-H]- 301.04979 168.3
[M+Na-2H]- 323.03174 171.7
[M]+ 302.05652 166.8
[M]- 302.05762 166.8
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.