CID 3052355

Brn 0674312

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₃

SMILES

CC(C)C1=CN2C(=NC3=C(C2=O)C=C(C=C3)C(=O)O)C=C1

InChI

InChI=1S/C16H14N2O3/c1-9(2)11-4-6-14-17-13-5-3-10(16(20)21)7-12(13)15(19)18(14)8-11/h3-9H,1-2H3,(H,20,21)

InChIKey

BPZOBPJZRALKPI-UHFFFAOYSA-N

Compound name

11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 282.10043 Da
Monoisotopic Mass: 1.7
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]+	283.10771	162.3
[M+Na]+	305.08965	178.2
[M+NH4]+	300.13425	169.5
[M+K]+	321.06359	171.7
[M-H]-	281.09315	163.8
[M+Na-2H]-	303.07510	168.4
[M]+	282.09988	165.1
[M]-	282.10098	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe