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 194.9
[M+Na]+ 428.19562 201.4
[M-H]- 404.19912 202.2
[M+NH4]+ 423.24022 206.3
[M+K]+ 444.16956 199.0
[M+H-H2O]+ 388.20366 185.0
[M+HCOO]- 450.20460 205.2
[M+CH3COO]- 464.22025 203.2
[M+Na-2H]- 426.18107 191.0
[M]+ 405.20585 192.4
[M]- 405.20695 192.4
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.