CID 120983

1,3,8-triazaspiro(4.5)decan-4-one, 3-acetyl-8-(3-(p-fluorobenzoyl)propyl)-1-phenyl-, hydrochloride

Structural Information

Molecular Formula
C25H28FN3O3
SMILES
CC(=O)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C25H28FN3O3/c1-19(30)28-18-29(22-6-3-2-4-7-22)25(24(28)32)13-16-27(17-14-25)15-5-8-23(31)20-9-11-21(26)12-10-20/h2-4,6-7,9-12H,5,8,13-18H2,1H3
InChIKey
SUSMCPRTEKTGJP-UHFFFAOYSA-N
Compound name
3-acetyl-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

437.21146 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.21874 208.9
[M+Na]+ 460.20068 219.4
[M+NH4]+ 455.24528 214.6
[M+K]+ 476.17462 212.5
[M-H]- 436.20418 211.2
[M+Na-2H]- 458.18613 214.7
[M]+ 437.21091 210.8
[M]- 437.21201 210.8
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

patents stripe