CID 3817295

459418-22-5

Structural Information

Molecular Formula

C₂₀H₂₀N₄O₃

SMILES

COC1=CC=C(C=C1)C2=CC(N3C(=NC=N3)N2)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C20H20N4O3/c1-25-15-7-4-13(5-8-15)16-11-17(24-20(23-16)21-12-22-24)14-6-9-18(26-2)19(10-14)27-3/h4-12,17H,1-3H3,(H,21,22,23)

InChIKey

HEMBUBOWNFUZHH-UHFFFAOYSA-N

Compound name

7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 364.15353 Da
Monoisotopic Mass: 3.7
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]+	365.160806	188.2
[M+Na]+	387.142748	197.2
[M-H]-	363.146254	192.9
[M+NH4]+	382.187353	197.1
[M+K]+	403.116688	191.0
[M+H-H2O]+	347.150790	176.5
[M+HCOO]-	409.151731	204.3
[M+CH3COO]-	423.167381	197.4
[M+Na-2H]-	385.128196	190.3
[M]+	364.15298142	190.9
[M]-	364.15407858	190.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.