CID 5939021

64405-53-4

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CCOC(=O)/C=C\1/CCC(N2C1=NC=CC2=O)C
InChI
InChI=1S/C13H16N2O3/c1-3-18-12(17)8-10-5-4-9(2)15-11(16)6-7-14-13(10)15/h6-9H,3-5H2,1-2H3/b10-8-
InChIKey
AAVDQVSOXCAQHV-NTMALXAHSA-N
Compound name
ethyl (2Z)-2-(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 154.9
[M+Na]+ 271.10531 163.3
[M-H]- 247.10881 156.5
[M+NH4]+ 266.14991 170.8
[M+K]+ 287.07925 160.0
[M+H-H2O]+ 231.11335 147.0
[M+HCOO]- 293.11429 172.6
[M+CH3COO]- 307.12994 193.7
[M+Na-2H]- 269.09076 159.0
[M]+ 248.11554 155.7
[M]- 248.11664 155.7
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.