CID 12931

741-39-9

Structural Information

Molecular Formula
C17H22N2O4
SMILES
COC1=CC=C(C=C1)N2C(=O)N(C(=O)C23CCCCC3)CCO
InChI
InChI=1S/C17H22N2O4/c1-23-14-7-5-13(6-8-14)19-16(22)18(11-12-20)15(21)17(19)9-3-2-4-10-17/h5-8,20H,2-4,9-12H2,1H3
InChIKey
BCNPBBVTEKAGMU-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.15796 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.165236 174.7
[M+Na]+ 341.147178 181.1
[M-H]- 317.150684 179.1
[M+NH4]+ 336.191783 189.6
[M+K]+ 357.121118 177.1
[M+H-H2O]+ 301.155220 166.1
[M+HCOO]- 363.156161 189.9
[M+CH3COO]- 377.171811 202.7
[M+Na-2H]- 339.132626 174.6
[M]+ 318.15741142 172.0
[M]- 318.15850858 172.0
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.