CID 49425

N-(2-bromoallyl)dibenzylamine hydrochloride

Structural Information

Molecular Formula
C17H18BrN
SMILES
C=C(CN(CC1=CC=CC=C1)CC2=CC=CC=C2)Br
InChI
InChI=1S/C17H18BrN/c1-15(18)12-19(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-11H,1,12-14H2
InChIKey
IPENPAGETWFVEW-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-bromoprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

315.06226 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06954 168.7
[M+Na]+ 338.05148 176.2
[M-H]- 314.05498 177.9
[M+NH4]+ 333.09608 186.6
[M+K]+ 354.02542 164.3
[M+H-H2O]+ 298.05952 166.6
[M+HCOO]- 360.06046 190.0
[M+CH3COO]- 374.07611 208.1
[M+Na-2H]- 336.03693 174.1
[M]+ 315.06171 186.6
[M]- 315.06281 186.6
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