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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.021806	153.4
[M+Na]+	297.003748	166.8
[M-H]-	273.007254	156.1
[M+NH4]+	292.048353	169.6
[M+K]+	312.977688	160.6
[M+H-H2O]+	257.011790	146.3
[M+HCOO]-	319.012731	168.8
[M+CH3COO]-	333.028381	166.3
[M+Na-2H]-	294.989196	162.0
[M]+	274.01398142	158.8
[M]-	274.01507858	158.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.