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 202.2
[M+Na]+ 433.18978 204.9
[M-H]- 409.19328 207.1
[M+NH4]+ 428.23438 208.6
[M+K]+ 449.16372 199.4
[M+H-H2O]+ 393.19782 188.8
[M+HCOO]- 455.19876 210.6
[M+CH3COO]- 469.21441 207.7
[M+Na-2H]- 431.17523 201.2
[M]+ 410.20001 193.7
[M]- 410.20111 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.