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]+ 411.207836 202.2
[M+Na]+ 433.189778 204.9
[M-H]- 409.193284 207.1
[M+NH4]+ 428.234383 208.6
[M+K]+ 449.163718 199.4
[M+H-H2O]+ 393.197820 188.8
[M+HCOO]- 455.198761 210.6
[M+CH3COO]- 469.214411 207.7
[M+Na-2H]- 431.175226 201.2
[M]+ 410.20001142 193.7
[M]- 410.20110858 193.7
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.