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 207.7
[M+Na]+ 460.20068 211.9
[M-H]- 436.20418 213.0
[M+NH4]+ 455.24528 215.9
[M+K]+ 476.17462 205.7
[M+H-H2O]+ 420.20872 194.8
[M+HCOO]- 482.20966 218.4
[M+CH3COO]- 496.22531 228.3
[M+Na-2H]- 458.18613 202.7
[M]+ 437.21091 202.7
[M]- 437.21201 202.7
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

patents stripe