CID 3052357

Brn 0818179

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CC(C)OC1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)C(=O)O
InChI
InChI=1S/C16H14N2O4/c1-9(2)22-11-4-5-13-12(7-11)15(19)18-8-10(16(20)21)3-6-14(18)17-13/h3-9H,1-2H3,(H,20,21)
InChIKey
PYBKWRFBLKRVDV-UHFFFAOYSA-N
Compound name
11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

298.09537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.102646 165.3
[M+Na]+ 321.084588 175.9
[M-H]- 297.088094 167.7
[M+NH4]+ 316.129193 179.3
[M+K]+ 337.058528 171.9
[M+H-H2O]+ 281.092630 156.8
[M+HCOO]- 343.093571 183.2
[M+CH3COO]- 357.109221 203.7
[M+Na-2H]- 319.070036 171.6
[M]+ 298.09482142 170.3
[M]- 298.09591858 170.3
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

patents stripe