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]+ 319.16524 174.7
[M+Na]+ 341.14718 181.1
[M-H]- 317.15068 179.1
[M+NH4]+ 336.19178 189.6
[M+K]+ 357.12112 177.1
[M+H-H2O]+ 301.15522 166.1
[M+HCOO]- 363.15616 189.9
[M+CH3COO]- 377.17181 202.7
[M+Na-2H]- 339.13263 174.6
[M]+ 318.15741 172.0
[M]- 318.15851 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.