CID 10472960

Crotonyl fentanyl

Structural Information

Molecular Formula
C23H28N2O
SMILES
C/C=C/C(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H28N2O/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/h2-13,22H,14-19H2,1H3/b9-2+
InChIKey
VDYXGPCGBKLRDA-XNWCZRBMSA-N
Compound name
(E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

1
Patents

348.22015 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22743 187.8
[M+Na]+ 371.20937 189.1
[M-H]- 347.21287 195.1
[M+NH4]+ 366.25397 198.5
[M+K]+ 387.18331 184.0
[M+H-H2O]+ 331.21741 176.5
[M+HCOO]- 393.21835 205.8
[M+CH3COO]- 407.23400 217.8
[M+Na-2H]- 369.19482 188.3
[M]+ 348.21960 183.4
[M]- 348.22070 183.4
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