CID 24847080

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

Structural Information

Molecular Formula
C19H24FN3O3
SMILES
CN1C(=O)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)N(C1=O)C
InChI
InChI=1S/C19H24FN3O3/c1-21-17(25)19(22(2)18(21)26)9-12-23(13-10-19)11-3-4-16(24)14-5-7-15(20)8-6-14/h5-8H,3-4,9-13H2,1-2H3
InChIKey
BJKVEEOLLLRTLH-UHFFFAOYSA-N
Compound name
8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.18018 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18746 189.5
[M+Na]+ 384.16940 199.1
[M+NH4]+ 379.21400 195.2
[M+K]+ 400.14334 193.3
[M-H]- 360.17290 189.3
[M+Na-2H]- 382.15485 192.9
[M]+ 361.17963 190.5
[M]- 361.18073 190.5
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.