CID 57339806

Tc-34

Structural Information

Molecular Formula

C₂₀H₂₃N₃O₂

SMILES

CC(C)NC1=NC(=NC2=C1C=C(C=C2)C=CC(C)(C)O)C3=CC=CO3

InChI

InChI=1S/C20H23N3O2/c1-13(2)21-18-15-12-14(9-10-20(3,4)24)7-8-16(15)22-19(23-18)17-6-5-11-25-17/h5-13,24H,1-4H3,(H,21,22,23)

InChIKey

INWQHHRLNZWEFG-UHFFFAOYSA-N

Compound name

4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 337.17902 Da
Monoisotopic Mass: 3.8
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]+	338.18630	184.0
[M+Na]+	360.16824	192.0
[M-H]-	336.17174	189.0
[M+NH4]+	355.21284	195.7
[M+K]+	376.14218	187.4
[M+H-H2O]+	320.17628	175.4
[M+HCOO]-	382.17722	202.2
[M+CH3COO]-	396.19287	212.5
[M+Na-2H]-	358.15369	188.4
[M]+	337.17847	187.3
[M]-	337.17957	187.3

Literature stripe

literature stripe

Patent stripe

patents stripe