CID 17297

2519-63-3

Structural Information

Molecular Formula

C₁₈H₁₇N₃O₃

SMILES

CCOC(=O)NC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C18H17N3O3/c1-3-24-18(23)20-15-10-6-7-11-16(15)21-12(2)19-14-9-5-4-8-13(14)17(21)22/h4-11H,3H2,1-2H3,(H,20,23)

InChIKey

RUDQROCIVNPVHT-UHFFFAOYSA-N

Compound name

ethyl N-[2-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.12698 Da
Monoisotopic Mass: 2.1
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]+	324.134256	175.6
[M+Na]+	346.116198	184.6
[M-H]-	322.119704	181.1
[M+NH4]+	341.160803	187.8
[M+K]+	362.090138	179.8
[M+H-H2O]+	306.124240	165.5
[M+HCOO]-	368.125181	196.5
[M+CH3COO]-	382.140831	211.1
[M+Na-2H]-	344.101646	181.2
[M]+	323.12643142	178.6
[M]-	323.12752858	178.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe