CID 50685

N(2-benzimidazolemethyl)-n-benzyl (2-chloroethyl)amine 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]+ 300.12621 168.7
[M+Na]+ 322.10815 176.8
[M-H]- 298.11165 173.2
[M+NH4]+ 317.15275 184.2
[M+K]+ 338.08209 169.8
[M+H-H2O]+ 282.11619 159.4
[M+HCOO]- 344.11713 186.7
[M+CH3COO]- 358.13278 179.7
[M+Na-2H]- 320.09360 174.5
[M]+ 299.11838 172.0
[M]- 299.11948 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.