CID 3074870

4,5,6,7-tetrahydro-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide

Structural Information

Molecular Formula

C₁₈H₁₆N₄O₂

SMILES

C1NC2=C(C(N1C3=CC=CC=C3)C4=CC=CC=C4)ON=C2C(=O)N

InChI

InChI=1S/C18H16N4O2/c19-18(23)15-14-17(24-21-15)16(12-7-3-1-4-8-12)22(11-20-14)13-9-5-2-6-10-13/h1-10,16,20H,11H2,(H2,19,23)

InChIKey

GQGPRLSWFWAKRH-UHFFFAOYSA-N

Compound name

6,7-diphenyl-5,7-dihydro-4H-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.12732 Da
Monoisotopic Mass: 2.8
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]+	321.134596	174.2
[M+Na]+	343.116538	181.0
[M-H]-	319.120044	179.8
[M+NH4]+	338.161143	183.8
[M+K]+	359.090478	175.6
[M+H-H2O]+	303.124580	163.7
[M+HCOO]-	365.125521	189.7
[M+CH3COO]-	379.141171	183.4
[M+Na-2H]-	341.101986	177.0
[M]+	320.12677142	170.2
[M]-	320.12786858	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.