CID 8899744

875164-01-5

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

CC1=C2C(=CC=C1)C(=O)N(C=N2)CC(=O)O

InChI

InChI=1S/C11H10N2O3/c1-7-3-2-4-8-10(7)12-6-13(11(8)16)5-9(14)15/h2-4,6H,5H2,1H3,(H,14,15)

InChIKey

SNRBRGWGFGRPSY-UHFFFAOYSA-N

Compound name

2-(8-methyl-4-oxoquinazolin-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 218.06914 Da
Monoisotopic Mass: 0.8
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]+	219.07642	144.4
[M+Na]+	241.05836	154.9
[M-H]-	217.06186	145.7
[M+NH4]+	236.10296	160.9
[M+K]+	257.03230	151.4
[M+H-H2O]+	201.06640	137.2
[M+HCOO]-	263.06734	164.0
[M+CH3COO]-	277.08299	186.6
[M+Na-2H]-	239.04381	151.1
[M]+	218.06859	146.5
[M]-	218.06969	146.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.