CID 121427

1241-02-7

Structural Information

Molecular Formula
C22H22BrN
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(C3=CC=CC=C3)Br
InChI
InChI=1S/C22H22BrN/c23-22(21-14-8-3-9-15-21)18-24(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,22H,16-18H2
InChIKey
FLNFHUUVKHKRED-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-bromo-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.09357 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.10085 187.1
[M+Na]+ 402.08279 193.0
[M-H]- 378.08629 198.5
[M+NH4]+ 397.12739 201.8
[M+K]+ 418.05673 180.7
[M+H-H2O]+ 362.09083 183.7
[M+HCOO]- 424.09177 207.6
[M+CH3COO]- 438.10742 198.3
[M+Na-2H]- 400.06824 192.0
[M]+ 379.09302 204.4
[M]- 379.09412 204.4
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.