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

6
Patents

398.23697 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.244246 199.9
[M+Na]+ 421.226188 202.0
[M-H]- 397.229694 204.4
[M+NH4]+ 416.270793 208.1
[M+K]+ 437.200128 195.8
[M+H-H2O]+ 381.234230 187.7
[M+HCOO]- 443.235171 215.3
[M+CH3COO]- 457.250821 226.0
[M+Na-2H]- 419.211636 197.6
[M]+ 398.23642142 195.8
[M]- 398.23751858 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