CID 14378

N-(2-bromoethyl)dibenzylamine hydrochloride

Structural Information

Molecular Formula
C16H18BrN
SMILES
C1=CC=C(C=C1)CN(CCBr)CC2=CC=CC=C2
InChI
InChI=1S/C16H18BrN/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
GOHOPIQYQWZUTC-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-bromoethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

303.06226 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06954 164.8
[M+Na]+ 326.05148 172.7
[M-H]- 302.05498 174.1
[M+NH4]+ 321.09608 183.3
[M+K]+ 342.02542 161.1
[M+H-H2O]+ 286.05952 162.7
[M+HCOO]- 348.06046 187.2
[M+CH3COO]- 362.07611 205.3
[M+Na-2H]- 324.03693 171.9
[M]+ 303.06171 183.5
[M]- 303.06281 183.5
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

patents stripe