CID 3043467

Jlb 11

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₄

SMILES

CN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)O

InChI

InChI=1S/C11H10N2O4/c1-12-8-5-3-2-4-7(8)10(16)13(11(12)17)6-9(14)15/h2-5H,6H2,1H3,(H,14,15)

InChIKey

BFVCBFCDCZVPGO-UHFFFAOYSA-N

Compound name

2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 234.06406 Da
Monoisotopic Mass: 0.4
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]+	235.07134	147.9
[M+Na]+	257.05328	161.8
[M+NH4]+	252.09788	153.8
[M+K]+	273.02722	157.0
[M-H]-	233.05678	147.5
[M+Na-2H]-	255.03873	152.7
[M]+	234.06351	149.6
[M]-	234.06461	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe