CID 108300

1-oxa-3,9-diazaspiro(5.5)undecan-2-one, 9-(3-(p-fluorobenzoyl)propyl)-5-phenyl-, hydrochloride

Structural Information

Molecular Formula
C24H27FN2O3
SMILES
C1CN(CCC12CC(NC(=O)O2)C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H27FN2O3/c25-20-10-8-19(9-11-20)22(28)7-4-14-27-15-12-24(13-16-27)17-21(26-23(29)30-24)18-5-2-1-3-6-18/h1-3,5-6,8-11,21H,4,7,12-17H2,(H,26,29)
InChIKey
PXVDNKCZHCXDAP-UHFFFAOYSA-N
Compound name
9-[4-(4-fluorophenyl)-4-oxobutyl]-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.20056 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20784 204.0
[M+Na]+ 433.18978 215.9
[M+NH4]+ 428.23438 211.0
[M+K]+ 449.16372 206.3
[M-H]- 409.19328 209.1
[M+Na-2H]- 431.17523 210.8
[M]+ 410.20001 207.1
[M]- 410.20111 207.1
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.