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

40
Patents

402.21548 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.222756 195.5
[M+Na]+ 425.204698 203.4
[M-H]- 401.208204 202.1
[M+NH4]+ 420.249303 208.6
[M+K]+ 441.178638 200.5
[M+H-H2O]+ 385.212740 187.1
[M+HCOO]- 447.213681 211.1
[M+CH3COO]- 461.229331 225.2
[M+Na-2H]- 423.190146 191.7
[M]+ 402.21493142 199.8
[M]- 402.21602858 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