CID 217866

39757-61-4

Structural Information

Molecular Formula
C25H29FN2O2
SMILES
CCC(=O)N(C1CCN(CC1)CC2CC2C(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C25H29FN2O2/c1-2-24(29)28(21-6-4-3-5-7-21)22-12-14-27(15-13-22)17-19-16-23(19)25(30)18-8-10-20(26)11-9-18/h3-11,19,22-23H,2,12-17H2,1H3
InChIKey
GUZNLZUZPFZNSV-UHFFFAOYSA-N
Compound name
N-[1-[[2-(4-fluorobenzoyl)cyclopropyl]methyl]piperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2213 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.22858 195.2
[M+Na]+ 431.21052 198.8
[M-H]- 407.21402 205.0
[M+NH4]+ 426.25512 199.2
[M+K]+ 447.18446 193.8
[M+H-H2O]+ 391.21856 183.6
[M+HCOO]- 453.21950 211.7
[M+CH3COO]- 467.23515 231.9
[M+Na-2H]- 429.19597 192.5
[M]+ 408.22075 193.5
[M]- 408.22185 193.5
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.