CID 3240818

93587-46-3

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CCOC(=O)C1=CN=C2C=C3CCCCC3=CN2C1=O
InChI
InChI=1S/C15H16N2O3/c1-2-20-15(19)12-8-16-13-7-10-5-3-4-6-11(10)9-17(13)14(12)18/h7-9H,2-6H2,1H3
InChIKey
XGYZBBQVRSDCQM-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-7,8,9,10-tetrahydropyrimido[1,2-b]isoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

272.1161 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 160.4
[M+Na]+ 295.105318 168.7
[M-H]- 271.108824 162.7
[M+NH4]+ 290.149923 176.0
[M+K]+ 311.079258 164.8
[M+H-H2O]+ 255.113360 151.6
[M+HCOO]- 317.114301 176.9
[M+CH3COO]- 331.129951 199.0
[M+Na-2H]- 293.090766 166.5
[M]+ 272.11555142 161.3
[M]- 272.11664858 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.