CID 137699946

Ortho-fibf

Structural Information

Molecular Formula
C23H29FN2O
SMILES
CC(C)C(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3F
InChI
InChI=1S/C23H29FN2O/c1-18(2)23(27)26(22-11-7-6-10-21(22)24)20-13-16-25(17-14-20)15-12-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3
InChIKey
NEWBKHYGTFTPMC-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

368.22638 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.23366 191.9
[M+Na]+ 391.21560 193.5
[M-H]- 367.21910 198.3
[M+NH4]+ 386.26020 202.0
[M+K]+ 407.18954 189.1
[M+H-H2O]+ 351.22364 179.9
[M+HCOO]- 413.22458 207.6
[M+CH3COO]- 427.24023 223.8
[M+Na-2H]- 389.20105 189.9
[M]+ 368.22583 187.2
[M]- 368.22693 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

patents stripe