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 213.9
[M+Na]+ 475.17406 222.7
[M-H]- 451.17756 220.5
[M+NH4]+ 470.21866 219.3
[M+K]+ 491.14800 215.4
[M+H-H2O]+ 435.18210 200.4
[M+HCOO]- 497.18304 223.8
[M+CH3COO]- 511.19869 220.7
[M+Na-2H]- 473.15951 214.7
[M]+ 452.18429 215.7
[M]- 452.18539 215.7
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.