CID 3074686

160776-56-7

Structural Information

Molecular Formula
C14H15N3O3
SMILES
CCOC(=O)N1CCCN2C1=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C14H15N3O3/c1-2-20-14(19)17-9-5-8-16-12(18)10-6-3-4-7-11(10)15-13(16)17/h3-4,6-7H,2,5,8-9H2,1H3
InChIKey
DKEDSGOHEPZQSR-UHFFFAOYSA-N
Compound name
ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.11133 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11861 161.5
[M+Na]+ 296.10055 170.3
[M-H]- 272.10405 162.6
[M+NH4]+ 291.14515 175.7
[M+K]+ 312.07449 166.4
[M+H-H2O]+ 256.10859 152.0
[M+HCOO]- 318.10953 176.9
[M+CH3COO]- 332.12518 198.2
[M+Na-2H]- 294.08600 168.0
[M]+ 273.11078 162.4
[M]- 273.11188 162.4
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.