CID 3008604

Schembl6748581

Structural Information

Molecular Formula

C₁₄H₁₂N₄O₃

SMILES

C1=CC2=C(C=C1COC(=O)C3=COC=C3)C(=NC(=N2)N)N

InChI

InChI=1S/C14H12N4O3/c15-12-10-5-8(1-2-11(10)17-14(16)18-12)6-21-13(19)9-3-4-20-7-9/h1-5,7H,6H2,(H4,15,16,17,18)

InChIKey

KWBKVVRMNVRRIG-UHFFFAOYSA-N

Compound name

(2,4-diaminoquinazolin-6-yl)methyl furan-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 284.09094 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]+	285.09822	162.2
[M+Na]+	307.08016	172.0
[M-H]-	283.08366	168.3
[M+NH4]+	302.12476	175.7
[M+K]+	323.05410	168.9
[M+H-H2O]+	267.08820	153.3
[M+HCOO]-	329.08914	185.6
[M+CH3COO]-	343.10479	174.4
[M+Na-2H]-	305.06561	168.0
[M]+	284.09039	164.7
[M]-	284.09149	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe