CID 44145669

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

Structural Information

Molecular Formula
C21H28FN3O4
SMILES
CN1C(=O)C2(CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)N(C1=O)C
InChI
InChI=1S/C21H28FN3O4/c1-23-18(26)20(24(2)19(23)27)9-12-25(13-10-20)11-3-8-21(28-14-15-29-21)16-4-6-17(22)7-5-16/h4-7H,3,8-15H2,1-2H3
InChIKey
SFLLHGUFDXVRNB-UHFFFAOYSA-N
Compound name
8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-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

405.2064 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21368 198.4
[M+Na]+ 428.19562 207.5
[M+NH4]+ 423.24022 205.6
[M+K]+ 444.16956 202.5
[M-H]- 404.19912 202.3
[M+Na-2H]- 426.18107 202.3
[M]+ 405.20585 200.8
[M]- 405.20695 200.8
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.