CID 3055335

2-(4-(4-carbamoylpiperidino)butoxy)-4'-fluorobibenzyl

Structural Information

Molecular Formula
C24H31FN2O2
SMILES
C1CN(CCC1C(=O)N)CCCCOC2=CC=CC=C2CCC3=CC=C(C=C3)F
InChI
InChI=1S/C24H31FN2O2/c25-22-11-8-19(9-12-22)7-10-20-5-1-2-6-23(20)29-18-4-3-15-27-16-13-21(14-17-27)24(26)28/h1-2,5-6,8-9,11-12,21H,3-4,7,10,13-18H2,(H2,26,28)
InChIKey
XXFHFQAEDHCKFO-UHFFFAOYSA-N
Compound name
1-[4-[2-[2-(4-fluorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

398.23697 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.24425 199.9
[M+Na]+ 421.22619 202.0
[M-H]- 397.22969 204.4
[M+NH4]+ 416.27079 208.1
[M+K]+ 437.20013 195.8
[M+H-H2O]+ 381.23423 187.7
[M+HCOO]- 443.23517 215.3
[M+CH3COO]- 457.25082 226.0
[M+Na-2H]- 419.21164 197.6
[M]+ 398.23642 195.8
[M]- 398.23752 195.8
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