CID 50685

Benzylamine, n-(2-benzimidazolylmethyl)-n-(2-chloroethyl)-, hydrochloride

Structural Information

Molecular Formula
C17H18ClN3
SMILES
C1=CC=C(C=C1)CN(CCCl)CC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C17H18ClN3/c18-10-11-21(12-14-6-2-1-3-7-14)13-17-19-15-8-4-5-9-16(15)20-17/h1-9H,10-13H2,(H,19,20)
InChIKey
WBUUYRWCDDSMPR-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-2-chloroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11893 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.126206 168.7
[M+Na]+ 322.108148 176.8
[M-H]- 298.111654 173.2
[M+NH4]+ 317.152753 184.2
[M+K]+ 338.082088 169.8
[M+H-H2O]+ 282.116190 159.4
[M+HCOO]- 344.117131 186.7
[M+CH3COO]- 358.132781 179.7
[M+Na-2H]- 320.093596 174.5
[M]+ 299.11838142 172.0
[M]- 299.11947858 172.0
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.