CID 24847082

1,3,8-triazaspiro(4.5)decane-2,4-dione, 8-(3-(p-fluorobenzoyl)propyl)-3-methyl-1-phenyl-

Structural Information

Molecular Formula
C24H26FN3O3
SMILES
CN1C(=O)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)N(C1=O)C4=CC=CC=C4
InChI
InChI=1S/C24H26FN3O3/c1-26-22(30)24(28(23(26)31)20-6-3-2-4-7-20)13-16-27(17-14-24)15-5-8-21(29)18-9-11-19(25)12-10-18/h2-4,6-7,9-12H,5,8,13-17H2,1H3
InChIKey
RLFKQSWVPVBJNJ-UHFFFAOYSA-N
Compound name
8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.19583 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.203106 203.9
[M+Na]+ 446.185048 209.8
[M-H]- 422.188554 209.6
[M+NH4]+ 441.229653 213.0
[M+K]+ 462.158988 203.1
[M+H-H2O]+ 406.193090 191.0
[M+HCOO]- 468.194031 215.8
[M+CH3COO]- 482.209681 226.5
[M+Na-2H]- 444.170496 199.7
[M]+ 423.19528142 199.6
[M]- 423.19637858 199.6
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.