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 180.9
[M+Na]+ 365.14718 186.1
[M-H]- 341.15068 184.7
[M+NH4]+ 360.19178 192.1
[M+K]+ 381.12112 182.6
[M+H-H2O]+ 325.15522 171.1
[M+HCOO]- 387.15616 194.1
[M+CH3COO]- 401.17181 212.7
[M+Na-2H]- 363.13263 180.6
[M]+ 342.15741 179.4
[M]- 342.15851 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.