CID 100974914

4-fibf

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

36
Patents

368.22638 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.233656 191.9
[M+Na]+ 391.215598 193.5
[M-H]- 367.219104 198.3
[M+NH4]+ 386.260203 202.0
[M+K]+ 407.189538 189.1
[M+H-H2O]+ 351.223640 179.9
[M+HCOO]- 413.224581 207.6
[M+CH3COO]- 427.240231 223.8
[M+Na-2H]- 389.201046 189.9
[M]+ 368.22583142 187.2
[M]- 368.22692858 187.2
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