CID 86280430

4-fluorobutyrfentanyl

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

30
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

literature stripe

Patent stripe

patents stripe