CID 10319503

4-phenylfentanyl

Structural Information

Molecular Formula
C28H32N2O
SMILES
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H32N2O/c1-2-27(31)30(26-16-10-5-11-17-26)28(25-14-8-4-9-15-25)19-22-29(23-20-28)21-18-24-12-6-3-7-13-24/h3-17H,2,18-23H2,1H3
InChIKey
BXCJXJLHYMWMQU-UHFFFAOYSA-N
Compound name
N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

108
Patents

412.25146 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.25874 205.5
[M+Na]+ 435.24068 206.3
[M-H]- 411.24418 215.5
[M+NH4]+ 430.28528 214.7
[M+K]+ 451.21462 200.6
[M+H-H2O]+ 395.24872 192.2
[M+HCOO]- 457.24966 222.5
[M+CH3COO]- 471.26531 212.2
[M+Na-2H]- 433.22613 206.4
[M]+ 412.25091 200.9
[M]- 412.25201 200.9
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