CID 135885364

943087-94-3

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₄

SMILES

C1=CC=C2C(=C1)C(=O)NC(=N2)COCC(=O)O

InChI

InChI=1S/C11H10N2O4/c14-10(15)6-17-5-9-12-8-4-2-1-3-7(8)11(16)13-9/h1-4H,5-6H2,(H,14,15)(H,12,13,16)

InChIKey

WNOHJYFQSSYRCY-UHFFFAOYSA-N

Compound name

2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 234.06406 Da
Monoisotopic Mass: 0.2
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]+	235.071336	147.7
[M+Na]+	257.053278	156.6
[M-H]-	233.056784	147.2
[M+NH4]+	252.097883	162.4
[M+K]+	273.027218	152.8
[M+H-H2O]+	217.061320	140.2
[M+HCOO]-	279.062261	166.0
[M+CH3COO]-	293.077911	185.2
[M+Na-2H]-	255.038726	154.7
[M]+	234.06351142	148.9
[M]-	234.06460858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe