CID 81581

7152-05-8

Structural Information

Molecular Formula
C21H26N2O
SMILES
CC(=O)NCC1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O/c1-18(24)22-17-21(20-10-6-3-7-11-20)12-14-23(15-13-21)16-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3,(H,22,24)
InChIKey
VJMHVFBEQKKTBK-UHFFFAOYSA-N
Compound name
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

322.2045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.211776 180.2
[M+Na]+ 345.193718 183.0
[M-H]- 321.197224 186.9
[M+NH4]+ 340.238323 193.5
[M+K]+ 361.167658 177.9
[M+H-H2O]+ 305.201760 169.7
[M+HCOO]- 367.202701 198.3
[M+CH3COO]- 381.218351 209.5
[M+Na-2H]- 343.179166 183.5
[M]+ 322.20395142 175.1
[M]- 322.20504858 175.1
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