CID 63288

75913-03-0

Structural Information

Molecular Formula

C₂₀H₁₉ClN₂O₃

SMILES

CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC=CC=C3Cl)C)C

InChI

InChI=1S/C20H19ClN2O3/c1-5-26-20(25)17-11(2)10-15-18(12(17)3)19(24)23(13(4)22-15)16-9-7-6-8-14(16)21/h6-10H,5H2,1-4H3

InChIKey

JGICPIBJMZIJOF-UHFFFAOYSA-N

Compound name

ethyl 3-(2-chlorophenyl)-2,5,7-trimethyl-4-oxoquinazoline-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 370.10843 Da
Monoisotopic Mass: 4.0
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]+	371.115706	185.8
[M+Na]+	393.097648	198.2
[M-H]-	369.101154	191.8
[M+NH4]+	388.142253	198.2
[M+K]+	409.071588	191.8
[M+H-H2O]+	353.105690	176.7
[M+HCOO]-	415.106631	200.3
[M+CH3COO]-	429.122281	219.9
[M+Na-2H]-	391.083096	187.2
[M]+	370.10788142	193.8
[M]-	370.10897858	193.8

Literature stripe

literature stripe

Patent stripe

patents stripe