CID 10314851

Acrylfentanyl

Structural Information

Molecular Formula
C22H26N2O
SMILES
C=CC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O/c1-2-22(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/h2-12,21H,1,13-18H2
InChIKey
RFQNLMWUIJJEQF-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

117
Patents

334.2045 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21178 184.3
[M+Na]+ 357.19372 197.1
[M+NH4]+ 352.23832 192.3
[M+K]+ 373.16766 188.1
[M-H]- 333.19722 190.9
[M+Na-2H]- 355.17917 193.6
[M]+ 334.20395 187.9
[M]- 334.20505 187.9
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