CID 5202925

6,7-bis(4-methoxyphenyl)-10-methyl-7,12-dihydro-6h-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C27H24N4O3
SMILES
CC1=NN2C(C3=C(C4=CC=CC=C4OC3C5=CC=C(C=C5)OC)NC2=N1)C6=CC=C(C=C6)OC
InChI
InChI=1S/C27H24N4O3/c1-16-28-27-29-24-21-6-4-5-7-22(21)34-26(18-10-14-20(33-3)15-11-18)23(24)25(31(27)30-16)17-8-12-19(32-2)13-9-17/h4-15,25-26H,1-3H3,(H,28,29,30)
InChIKey
VOXLWZDTUPMREE-UHFFFAOYSA-N
Compound name
9,11-bis(4-methoxyphenyl)-14-methyl-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

452.18484 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.19212 215.1
[M+Na]+ 475.17406 233.3
[M+NH4]+ 470.21866 222.5
[M+K]+ 491.14800 225.7
[M-H]- 451.17756 222.5
[M+Na-2H]- 473.15951 221.1
[M]+ 452.18429 220.1
[M]- 452.18539 220.1
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.