CID 46216825

Carbonic acid ethyl ester 8-methoxy-1-methyl-2-oxo-3-(2,4,6-trimethyl-phenyl)-1,8-diaza-spiro[4.5]dec-3-en-4-yl ester

Structural Information

Molecular Formula
C22H30N2O5
SMILES
CCOC(=O)OC1=C(C(=O)N(C12CCN(CC2)OC)C)C3=C(C=C(C=C3C)C)C
InChI
InChI=1S/C22H30N2O5/c1-7-28-21(26)29-19-18(17-15(3)12-14(2)13-16(17)4)20(25)23(5)22(19)8-10-24(27-6)11-9-22/h12-13H,7-11H2,1-6H3
InChIKey
BDIZCKBNXWEVMA-UHFFFAOYSA-N
Compound name
ethyl [8-methoxy-1-methyl-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

402.21548 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.22276 195.5
[M+Na]+ 425.20470 203.4
[M-H]- 401.20820 202.1
[M+NH4]+ 420.24930 208.6
[M+K]+ 441.17864 200.5
[M+H-H2O]+ 385.21274 187.1
[M+HCOO]- 447.21368 211.1
[M+CH3COO]- 461.22933 225.2
[M+Na-2H]- 423.19015 191.7
[M]+ 402.21493 199.8
[M]- 402.21603 199.8
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

patents stripe