CID 203630

14817-99-3

Structural Information

Molecular Formula
C16H18ClN
SMILES
CC(CC1=CC=C(C=C1)Cl)NCC2=CC=CC=C2
InChI
InChI=1S/C16H18ClN/c1-13(11-14-7-9-16(17)10-8-14)18-12-15-5-3-2-4-6-15/h2-10,13,18H,11-12H2,1H3
InChIKey
CCKWFLSETPZMQN-UHFFFAOYSA-N
Compound name
N-benzyl-1-(4-chlorophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 160.9
[M+Na]+ 282.10198 176.2
[M+NH4]+ 277.14658 171.0
[M+K]+ 298.07592 166.3
[M-H]- 258.10548 167.2
[M+Na-2H]- 280.08743 171.3
[M]+ 259.11221 165.4
[M]- 259.11331 165.4
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.