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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16081 188.2
[M+Na]+ 387.14275 197.2
[M-H]- 363.14625 192.9
[M+NH4]+ 382.18735 197.1
[M+K]+ 403.11669 191.0
[M+H-H2O]+ 347.15079 176.5
[M+HCOO]- 409.15173 204.3
[M+CH3COO]- 423.16738 197.4
[M+Na-2H]- 385.12820 190.3
[M]+ 364.15298 190.9
[M]- 364.15408 190.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.