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 164.8
[M+Na]+ 325.04629 173.7
[M-H]- 301.04979 170.2
[M+NH4]+ 320.09089 179.4
[M+K]+ 341.02023 163.7
[M+H-H2O]+ 285.05433 160.6
[M+HCOO]- 347.05527 185.6
[M+CH3COO]- 361.07092 198.1
[M+Na-2H]- 323.03174 173.5
[M]+ 302.05652 166.9
[M]- 302.05762 166.9
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.