CID 527013

P-tolylfentanyl

Structural Information

Molecular Formula
C23H30N2O
SMILES
CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)C
InChI
InChI=1S/C23H30N2O/c1-3-23(26)25(21-11-9-19(2)10-12-21)22-14-17-24(18-15-22)16-13-20-7-5-4-6-8-20/h4-12,22H,3,13-18H2,1-2H3
InChIKey
XHWYYMNEJCMADF-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

296
Patents

350.2358 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.24308 188.8
[M+Na]+ 373.22502 190.6
[M-H]- 349.22852 196.5
[M+NH4]+ 368.26962 199.7
[M+K]+ 389.19896 186.1
[M+H-H2O]+ 333.23306 177.5
[M+HCOO]- 395.23400 206.5
[M+CH3COO]- 409.24965 220.3
[M+Na-2H]- 371.21047 188.5
[M]+ 350.23525 185.6
[M]- 350.23635 185.6
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