CID 9969573

3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl carbonate

Structural Information

Molecular Formula
C21H27NO5
SMILES
CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C
InChI
InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)
InChIKey
CLSVJBIHYWPGQY-UHFFFAOYSA-N
Compound name
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

119
References

25259
Patents

373.18893 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.19621 188.9
[M+Na]+ 396.17815 195.1
[M-H]- 372.18165 194.9
[M+NH4]+ 391.22275 203.3
[M+K]+ 412.15209 191.6
[M+H-H2O]+ 356.18619 181.2
[M+HCOO]- 418.18713 204.7
[M+CH3COO]- 432.20278 214.6
[M+Na-2H]- 394.16360 186.4
[M]+ 373.18838 189.6
[M]- 373.18948 189.6
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.