CID 137700126

3-phenylpropanoylfentanyl

Structural Information

Molecular Formula
C28H32N2O
SMILES
C1CN(CCC1N(C2=CC=CC=C2)C(=O)CCC3=CC=CC=C3)CCC4=CC=CC=C4
InChI
InChI=1S/C28H32N2O/c31-28(17-16-24-10-4-1-5-11-24)30(26-14-8-3-9-15-26)27-19-22-29(23-20-27)21-18-25-12-6-2-7-13-25/h1-15,27H,16-23H2
InChIKey
DIRAGWDYMRIDIO-UHFFFAOYSA-N
Compound name
N,3-diphenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

412.25146 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.25874 204.1
[M+Na]+ 435.24068 203.8
[M-H]- 411.24418 213.6
[M+NH4]+ 430.28528 211.2
[M+K]+ 451.21462 197.6
[M+H-H2O]+ 395.24872 190.7
[M+HCOO]- 457.24966 221.1
[M+CH3COO]- 471.26531 210.4
[M+Na-2H]- 433.22613 204.3
[M]+ 412.25091 199.1
[M]- 412.25201 199.1
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