CID 24847081

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

Structural Information

Molecular Formula
C21H28FN3O3
SMILES
CC(C)N1C(=O)N(C(=O)C12CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C
InChI
InChI=1S/C21H28FN3O3/c1-15(2)25-20(28)23(3)19(27)21(25)10-13-24(14-11-21)12-4-5-18(26)16-6-8-17(22)9-7-16/h6-9,15H,4-5,10-14H2,1-3H3
InChIKey
ZEQVNKTZOPEFPB-UHFFFAOYSA-N
Compound name
8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.21146 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.21874 194.0
[M+Na]+ 412.20068 199.8
[M-H]- 388.20418 196.8
[M+NH4]+ 407.24528 205.3
[M+K]+ 428.17462 195.1
[M+H-H2O]+ 372.20872 183.6
[M+HCOO]- 434.20966 204.9
[M+CH3COO]- 448.22531 222.4
[M+Na-2H]- 410.18613 188.7
[M]+ 389.21091 191.0
[M]- 389.21201 191.0
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.