CID 129522083

M-fluorofentanyl

Structural Information

Molecular Formula
C23H29FN2O
SMILES
CCCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC(=CC=C3)F
InChI
InChI=1S/C23H29FN2O/c1-2-7-23(27)26(22-11-6-10-20(24)18-22)21-13-16-25(17-14-21)15-12-19-8-4-3-5-9-19/h3-6,8-11,18,21H,2,7,12-17H2,1H3
InChIKey
BSGQPGPNNBBEEQ-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

368.22638 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.233656 192.2
[M+Na]+ 391.215598 194.1
[M-H]- 367.219104 198.4
[M+NH4]+ 386.260203 202.3
[M+K]+ 407.189538 189.1
[M+H-H2O]+ 351.223640 179.9
[M+HCOO]- 413.224581 208.9
[M+CH3COO]- 427.240231 222.9
[M+Na-2H]- 389.201046 191.2
[M]+ 368.22583142 188.0
[M]- 368.22692858 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.