CID 137332271

Cyclopropylfentanyl

Structural Information

Molecular Formula
C23H28N2O
SMILES
C1CC1C(=O)N(C2CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H28N2O/c26-23(20-11-12-20)25(21-9-5-2-6-10-21)22-14-17-24(18-15-22)16-13-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2
InChIKey
OIQSKDSKROTEMN-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

31
Patents

348.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22743 182.6
[M+Na]+ 371.20937 185.5
[M-H]- 347.21287 193.2
[M+NH4]+ 366.25397 188.7
[M+K]+ 387.18331 181.1
[M+H-H2O]+ 331.21741 171.6
[M+HCOO]- 393.21835 201.5
[M+CH3COO]- 407.23400 190.7
[M+Na-2H]- 369.19482 183.8
[M]+ 348.21960 180.1
[M]- 348.22070 180.1
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