CID 90235

23680-84-4

Structural Information

Molecular Formula

C₁₀H₁₀ClN₃O₂

SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N)OC

InChI

InChI=1S/C10H10ClN3O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(11)14-9(5)12/h3-4H,1-2H3,(H2,12,13,14)

InChIKey

HWIIAAVGRHKSOJ-UHFFFAOYSA-N

Compound name

2-chloro-6,7-dimethoxyquinazolin-4-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 781
Patents: 239.04616 Da
Monoisotopic Mass: 2.2
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]+	240.053436	148.9
[M+Na]+	262.035378	160.8
[M-H]-	238.038884	151.2
[M+NH4]+	257.079983	166.1
[M+K]+	278.009318	156.6
[M+H-H2O]+	222.043420	142.0
[M+HCOO]-	284.044361	166.5
[M+CH3COO]-	298.060011	193.9
[M+Na-2H]-	260.020826	155.9
[M]+	239.04561142	153.7
[M]-	239.04670858	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe