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]+ 343.165236 180.9
[M+Na]+ 365.147178 186.1
[M-H]- 341.150684 184.7
[M+NH4]+ 360.191783 192.1
[M+K]+ 381.121118 182.6
[M+H-H2O]+ 325.155220 171.1
[M+HCOO]- 387.156161 194.1
[M+CH3COO]- 401.171811 212.7
[M+Na-2H]- 363.132626 180.6
[M]+ 342.15741142 179.4
[M]- 342.15850858 179.4
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.