CID 214586

Mz-179

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CCOC(=O)C1=CN(C2CCCC(N2C1=O)C)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2O4/c1-3-25-19(24)15-12-20(17(22)14-9-5-4-6-10-14)16-11-7-8-13(2)21(16)18(15)23/h4-6,9-10,12-13,16H,3,7-8,11H2,1-2H3
InChIKey
MVIGYGCVXABNPD-UHFFFAOYSA-N
Compound name
ethyl 1-benzoyl-6-methyl-4-oxo-7,8,9,9a-tetrahydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.15796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 180.8
[M+Na]+ 365.14718 192.5
[M+NH4]+ 360.19178 186.6
[M+K]+ 381.12112 186.7
[M-H]- 341.15068 182.5
[M+Na-2H]- 363.13263 184.5
[M]+ 342.15741 182.6
[M]- 342.15851 182.6
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.