CID 514962

Schembl5073448

Structural Information

Molecular Formula
C27H32FN3O3
SMILES
CN1CC(CC1=O)C(=O)N(CCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C27H32FN3O3/c1-29-19-22(18-25(29)32)27(34)31(24-6-3-2-4-7-24)15-5-14-30-16-12-21(13-17-30)26(33)20-8-10-23(28)11-9-20/h2-4,6-11,21-22H,5,12-19H2,1H3
InChIKey
OFTNWUUCOLONDQ-UHFFFAOYSA-N
Compound name
N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

465.24277 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.25005 214.1
[M+Na]+ 488.23199 214.8
[M-H]- 464.23549 222.2
[M+NH4]+ 483.27659 220.0
[M+K]+ 504.20593 209.8
[M+H-H2O]+ 448.24003 200.8
[M+HCOO]- 510.24097 226.9
[M+CH3COO]- 524.25662 239.9
[M+Na-2H]- 486.21744 206.7
[M]+ 465.24222 208.8
[M]- 465.24332 208.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe