CID 217774

39617-54-4

Structural Information

Molecular Formula
C18H20ClN
SMILES
CNC1CCC(C1)(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H20ClN/c1-20-17-11-12-18(13-17,14-5-3-2-4-6-14)15-7-9-16(19)10-8-15/h2-10,17,20H,11-13H2,1H3
InChIKey
MGHUMNKLBYFTQI-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N-methyl-3-phenylcyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.12842 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13570 167.8
[M+Na]+ 308.11764 182.6
[M+NH4]+ 303.16224 179.8
[M+K]+ 324.09158 172.2
[M-H]- 284.12114 175.7
[M+Na-2H]- 306.10309 179.7
[M]+ 285.12787 172.8
[M]- 285.12897 172.8
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