CID 137700000

Meta-fibf

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.