CID 43350085

4-chloro-3-[(2-methyl-1h-1,3-benzodiazol-1-yl)methyl]aniline

Structural Information

Molecular Formula
C15H14ClN3
SMILES
CC1=NC2=CC=CC=C2N1CC3=C(C=CC(=C3)N)Cl
InChI
InChI=1S/C15H14ClN3/c1-10-18-14-4-2-3-5-15(14)19(10)9-11-8-12(17)6-7-13(11)16/h2-8H,9,17H2,1H3
InChIKey
KXRLDAQDFLIDQT-UHFFFAOYSA-N
Compound name
4-chloro-3-[(2-methylbenzimidazol-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08762 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.094896 161.6
[M+Na]+ 294.076838 173.9
[M-H]- 270.080344 167.1
[M+NH4]+ 289.121443 179.1
[M+K]+ 310.050778 166.4
[M+H-H2O]+ 254.084880 153.5
[M+HCOO]- 316.085821 180.7
[M+CH3COO]- 330.101471 174.4
[M+Na-2H]- 292.062286 166.3
[M]+ 271.08707142 165.1
[M]- 271.08816858 165.1
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.