CID 139025450

Benzoylfentanyl

Structural Information

Molecular Formula
C26H28N2O
SMILES
C1CN(CCC1N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)CCC4=CC=CC=C4
InChI
InChI=1S/C26H28N2O/c29-26(23-12-6-2-7-13-23)28(24-14-8-3-9-15-24)25-17-20-27(21-18-25)19-16-22-10-4-1-5-11-22/h1-15,25H,16-21H2
InChIKey
BJPDWVPQDSVQKD-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

384.22015 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22743 195.5
[M+Na]+ 407.20937 196.1
[M-H]- 383.21287 205.4
[M+NH4]+ 402.25397 203.8
[M+K]+ 423.18331 190.3
[M+H-H2O]+ 367.21741 182.5
[M+HCOO]- 429.21835 213.1
[M+CH3COO]- 443.23400 202.7
[M+Na-2H]- 405.19482 196.7
[M]+ 384.21960 189.9
[M]- 384.22070 189.9
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