CID 252141

Benzylfentanyl

Structural Information

Molecular Formula
C21H26N2O
SMILES
CCC(=O)N(C1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O/c1-2-21(24)23(19-11-7-4-8-12-19)20-13-15-22(16-14-20)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3
InChIKey
POQDXIFVWVZVML-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

15
References

80
Patents

322.2045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.211776 179.6
[M+Na]+ 345.193718 181.4
[M-H]- 321.197224 187.3
[M+NH4]+ 340.238323 191.5
[M+K]+ 361.167658 177.4
[M+H-H2O]+ 305.201760 168.6
[M+HCOO]- 367.202701 198.1
[M+CH3COO]- 381.218351 213.3
[M+Na-2H]- 343.179166 181.2
[M]+ 322.20395142 175.4
[M]- 322.20504858 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

literature stripe

Patent stripe

patents stripe