CID 135681960

179688-53-0

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₄

SMILES

CC(=O)OC1=C(C=C2C(=C1)C(=O)NC=N2)OC

InChI

InChI=1S/C11H10N2O4/c1-6(14)17-10-3-7-8(4-9(10)16-2)12-5-13-11(7)15/h3-5H,1-2H3,(H,12,13,15)

InChIKey

SOLQIFINSOHAQD-UHFFFAOYSA-N

Compound name

(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 505
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	148.6
[M+Na]+	257.05328	162.1
[M+NH4]+	252.09788	154.8
[M+K]+	273.02722	157.2
[M-H]-	233.05678	148.4
[M+Na-2H]-	255.03873	153.7
[M]+	234.06351	150.3
[M]-	234.06461	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe