CID 44371939

Fentanyl ethylformate

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CCOC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O2/c1-2-26-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
InChIKey
BPXVEPWHWMDYCP-UHFFFAOYSA-N
Compound name
ethyl N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

352.2151 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 187.5
[M+Na]+ 375.20432 188.7
[M-H]- 351.20782 195.0
[M+NH4]+ 370.24892 198.0
[M+K]+ 391.17826 185.1
[M+H-H2O]+ 335.21236 176.0
[M+HCOO]- 397.21330 205.8
[M+CH3COO]- 411.22895 217.6
[M+Na-2H]- 373.18977 188.5
[M]+ 352.21455 184.9
[M]- 352.21565 184.9
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