CID 135742355

1256956-77-0

Structural Information

Molecular Formula

C₁₀H₉ClN₂O₂

SMILES

COC1=CC2=C(C=C1)C(=O)NC(=N2)CCl

InChI

InChI=1S/C10H9ClN2O2/c1-15-6-2-3-7-8(4-6)12-9(5-11)13-10(7)14/h2-4H,5H2,1H3,(H,12,13,14)

InChIKey

NGMOHIZLMYXGNO-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-7-methoxy-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 224.03525 Da
Monoisotopic Mass: 1.3
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]+	225.04253	143.3
[M+Na]+	247.02447	155.0
[M-H]-	223.02797	144.4
[M+NH4]+	242.06907	160.7
[M+K]+	262.99841	149.6
[M+H-H2O]+	207.03251	136.8
[M+HCOO]-	269.03345	159.2
[M+CH3COO]-	283.04910	185.1
[M+Na-2H]-	245.00992	151.2
[M]+	224.03470	146.8
[M]-	224.03580	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe