CID 46780247

1159977-03-3

Structural Information

Molecular Formula

C₁₀H₉Cl₂N₃O₂

SMILES

C1C2=C(C=CC(=C2Cl)Cl)N=C(N1CC(=O)O)N

InChI

InChI=1S/C10H9Cl2N3O2/c11-6-1-2-7-5(9(6)12)3-15(4-8(16)17)10(13)14-7/h1-2H,3-4H2,(H2,13,14)(H,16,17)

InChIKey

LXLOZUWWCLJYGV-UHFFFAOYSA-N

Compound name

2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 16
Patents: 273.00717 Da
Monoisotopic Mass: 1.2
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]+	274.014446	154.0
[M+Na]+	295.996388	164.7
[M-H]-	271.999894	153.9
[M+NH4]+	291.040993	169.3
[M+K]+	311.970328	158.7
[M+H-H2O]+	256.004430	148.5
[M+HCOO]-	318.005371	162.9
[M+CH3COO]-	332.021021	196.5
[M+Na-2H]-	293.981836	157.8
[M]+	273.00662142	155.4
[M]-	273.00771858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe