CID 90996

23892-49-1

Structural Information

Molecular Formula
C20H25ClN2
SMILES
C1CCN(CC1)CCNC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H25ClN2/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)22-13-16-23-14-5-2-6-15-23/h1,3-4,7-12,20,22H,2,5-6,13-16H2
InChIKey
OWPPTLVOOSUIDP-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)-phenylmethyl]-2-piperidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.17062 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17790 179.4
[M+Na]+ 351.15984 182.1
[M-H]- 327.16334 185.4
[M+NH4]+ 346.20444 191.4
[M+K]+ 367.13378 175.1
[M+H-H2O]+ 311.16788 169.3
[M+HCOO]- 373.16882 192.7
[M+CH3COO]- 387.18447 187.7
[M+Na-2H]- 349.14529 181.7
[M]+ 328.17007 175.4
[M]- 328.17117 175.4
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.