CID 3047247

Brn 0753094

Structural Information

Molecular Formula
C13H7ClN2O3
SMILES
C1=CC2=C(C=C1Cl)C(=O)N3C=C(C=CC3=N2)C(=O)O
InChI
InChI=1S/C13H7ClN2O3/c14-8-2-3-10-9(5-8)12(17)16-6-7(13(18)19)1-4-11(16)15-10/h1-6H,(H,18,19)
InChIKey
BURXIQNLOHKAFD-UHFFFAOYSA-N
Compound name
2-chloro-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.01453 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.02181 153.4
[M+Na]+ 297.00375 166.8
[M-H]- 273.00725 156.1
[M+NH4]+ 292.04835 169.6
[M+K]+ 312.97769 160.6
[M+H-H2O]+ 257.01179 146.3
[M+HCOO]- 319.01273 168.8
[M+CH3COO]- 333.02838 166.3
[M+Na-2H]- 294.98920 162.0
[M]+ 274.01398 158.8
[M]- 274.01508 158.8
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.