CID 3078931

123241-90-7

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₂

SMILES

COC(=O)C1=C2C(=CC=C1)N=C(N=C2N)N

InChI

InChI=1S/C10H10N4O2/c1-16-9(15)5-3-2-4-6-7(5)8(11)14-10(12)13-6/h2-4H,1H3,(H4,11,12,13,14)

InChIKey

USRLRJWCKURKCO-UHFFFAOYSA-N

Compound name

methyl 2,4-diaminoquinazoline-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 218.08037 Da
Monoisotopic Mass: 0.7
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]+	219.087646	146.5
[M+Na]+	241.069588	156.0
[M-H]-	217.073094	148.3
[M+NH4]+	236.114193	162.7
[M+K]+	257.043528	153.0
[M+H-H2O]+	201.077630	138.7
[M+HCOO]-	263.078571	168.4
[M+CH3COO]-	277.094221	193.0
[M+Na-2H]-	239.055036	153.0
[M]+	218.07982142	145.9
[M]-	218.08091858	145.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.