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

4
Patents

298.09537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10265 165.3
[M+Na]+ 321.08459 175.9
[M-H]- 297.08809 167.7
[M+NH4]+ 316.12919 179.3
[M+K]+ 337.05853 171.9
[M+H-H2O]+ 281.09263 156.8
[M+HCOO]- 343.09357 183.2
[M+CH3COO]- 357.10922 203.7
[M+Na-2H]- 319.07004 171.6
[M]+ 298.09482 170.3
[M]- 298.09592 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