CID 3240818

Brn 5564747

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]+ 273.12338 160.4
[M+Na]+ 295.10532 168.7
[M-H]- 271.10882 162.7
[M+NH4]+ 290.14992 176.0
[M+K]+ 311.07926 164.8
[M+H-H2O]+ 255.11336 151.6
[M+HCOO]- 317.11430 176.9
[M+CH3COO]- 331.12995 199.0
[M+Na-2H]- 293.09077 166.5
[M]+ 272.11555 161.3
[M]- 272.11665 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.