CID 129522102

Ortho-fbf

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

368.22638 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.23366 192.2
[M+Na]+ 391.21560 194.1
[M-H]- 367.21910 198.4
[M+NH4]+ 386.26020 202.3
[M+K]+ 407.18954 189.1
[M+H-H2O]+ 351.22364 179.9
[M+HCOO]- 413.22458 208.9
[M+CH3COO]- 427.24023 222.9
[M+Na-2H]- 389.20105 191.2
[M]+ 368.22583 188.0
[M]- 368.22693 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

patents stripe