CID 71675

N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine

Structural Information

Molecular Formula
C16H18ClN
SMILES
CC(CC1=CC=CC=C1)NCC2=CC=CC=C2Cl
InChI
InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3
InChIKey
LRXXRIXDSAEIOR-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

33298
References

4172
Patents

259.11276 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12004 160.0
[M+Na]+ 282.10198 166.4
[M-H]- 258.10548 166.0
[M+NH4]+ 277.14658 177.2
[M+K]+ 298.07592 160.5
[M+H-H2O]+ 242.11002 153.0
[M+HCOO]- 304.11096 179.2
[M+CH3COO]- 318.12661 198.6
[M+Na-2H]- 280.08743 164.9
[M]+ 259.11221 161.1
[M]- 259.11331 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe