CID 4294267

6,7-bis(2-methoxyphenyl)-7,12-dihydro-6h-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C26H22N4O3
SMILES
COC1=CC=CC=C1C2C3=C(C4=CC=CC=C4OC3C5=CC=CC=C5OC)NC6=NC=NN26
InChI
InChI=1S/C26H22N4O3/c1-31-19-12-6-4-10-17(19)24-22-23(29-26-27-15-28-30(24)26)16-9-3-8-14-21(16)33-25(22)18-11-5-7-13-20(18)32-2/h3-15,24-25H,1-2H3,(H,27,28,29)
InChIKey
VAIPNOUCMFOSDK-UHFFFAOYSA-N
Compound name
9,11-bis(2-methoxyphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.1692 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17648 210.0
[M+Na]+ 461.15842 228.0
[M+NH4]+ 456.20302 217.5
[M+K]+ 477.13236 220.5
[M-H]- 437.16192 217.2
[M+Na-2H]- 459.14387 216.5
[M]+ 438.16865 214.9
[M]- 438.16975 214.9
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.