CID 3074687

2h-pyrimido(2,1-b)quinazoline-1(6h)-acetic acid, 3,4-dihydro-6-oxo-, ethyl ester

Structural Information

Molecular Formula
C15H17N3O3
SMILES
CCOC(=O)CN1CCCN2C1=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C15H17N3O3/c1-2-21-13(19)10-17-8-5-9-18-14(20)11-6-3-4-7-12(11)16-15(17)18/h3-4,6-7H,2,5,8-10H2,1H3
InChIKey
QIRGNQDVOSVCBI-UHFFFAOYSA-N
Compound name
ethyl 2-(6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.12698 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.134256 165.8
[M+Na]+ 310.116198 174.0
[M-H]- 286.119704 166.6
[M+NH4]+ 305.160803 179.3
[M+K]+ 326.090138 169.9
[M+H-H2O]+ 270.124240 156.1
[M+HCOO]- 332.125181 180.8
[M+CH3COO]- 346.140831 201.8
[M+Na-2H]- 308.101646 171.8
[M]+ 287.12643142 167.1
[M]- 287.12752858 167.1
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.