CID 81711

7289-25-0

Structural Information

Molecular Formula
C20H25ClN2
SMILES
C1CN(CCC1CNCC2=CC=C(C=C2)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C20H25ClN2/c21-20-8-6-17(7-9-20)14-22-15-18-10-12-23(13-11-18)16-19-4-2-1-3-5-19/h1-9,18,22H,10-16H2
InChIKey
VKWRUMSSHXJQMT-UHFFFAOYSA-N
Compound name
1-(1-benzylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.17062 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17790 179.9
[M+Na]+ 351.15984 183.9
[M-H]- 327.16334 186.2
[M+NH4]+ 346.20444 192.3
[M+K]+ 367.13378 176.4
[M+H-H2O]+ 311.16788 169.8
[M+HCOO]- 373.16882 194.2
[M+CH3COO]- 387.18447 188.7
[M+Na-2H]- 349.14529 182.6
[M]+ 328.17007 176.9
[M]- 328.17117 176.9
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.