CID 139032969

A-chloro fentanyl

Structural Information

Molecular Formula
C22H27ClN2O
SMILES
CC(C(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3)Cl
InChI
InChI=1S/C22H27ClN2O/c1-18(23)22(26)25(20-10-6-3-7-11-20)21-13-16-24(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3
InChIKey
QWBHMXNWOVMXPX-UHFFFAOYSA-N
Compound name
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18118 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18846 190.9
[M+Na]+ 393.17040 204.2
[M+NH4]+ 388.21500 199.3
[M+K]+ 409.14434 195.1
[M-H]- 369.17390 197.6
[M+Na-2H]- 391.15585 200.0
[M]+ 370.18063 195.0
[M]- 370.18173 195.0
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

No patent data available for this compound.