CID 621174

Butyrfentanyl

Structural Information

Molecular Formula
C23H30N2O
SMILES
CCCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O/c1-2-9-23(26)25(21-12-7-4-8-13-21)22-15-18-24(19-16-22)17-14-20-10-5-3-6-11-20/h3-8,10-13,22H,2,9,14-19H2,1H3
InChIKey
QQOMYEQLWQJRKK-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

15
References

178
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 188.6
[M+Na]+ 373.22502 189.4
[M-H]- 349.22852 195.8
[M+NH4]+ 368.26962 199.2
[M+K]+ 389.19896 184.9
[M+H-H2O]+ 333.23306 177.1
[M+HCOO]- 395.23400 206.3
[M+CH3COO]- 409.24965 219.2
[M+Na-2H]- 371.21047 189.0
[M]+ 350.23525 185.0
[M]- 350.23635 185.0
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