CID 3053061

69467-20-5

Structural Information

Molecular Formula
C20H21N3O5
SMILES
COC1=C(C=C(C=C1)C2=C(N=NC(=N2)OC)C3=CC(=C(C=C3)OC)OC)OC
InChI
InChI=1S/C20H21N3O5/c1-24-14-8-6-12(10-16(14)26-3)18-19(22-23-20(21-18)28-5)13-7-9-15(25-2)17(11-13)27-4/h6-11H,1-5H3
InChIKey
HQVQOQZUPPQXNX-UHFFFAOYSA-N
Compound name
5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

383.14813 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15541 192.2
[M+Na]+ 406.13735 201.9
[M-H]- 382.14085 198.8
[M+NH4]+ 401.18195 199.7
[M+K]+ 422.11129 198.5
[M+H-H2O]+ 366.14539 179.8
[M+HCOO]- 428.14633 212.2
[M+CH3COO]- 442.16198 221.4
[M+Na-2H]- 404.12280 195.1
[M]+ 383.14758 201.1
[M]- 383.14868 201.1
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

patents stripe