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 186.1
[M+Na]+ 384.16940 193.1
[M-H]- 360.17290 189.1
[M+NH4]+ 379.21400 198.6
[M+K]+ 400.14334 188.2
[M+H-H2O]+ 344.17744 175.7
[M+HCOO]- 406.17838 198.7
[M+CH3COO]- 420.19403 215.7
[M+Na-2H]- 382.15485 182.7
[M]+ 361.17963 183.0
[M]- 361.18073 183.0
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.