CID 3053061

As-triazine, 5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-

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]+ 384.155406 192.2
[M+Na]+ 406.137348 201.9
[M-H]- 382.140854 198.8
[M+NH4]+ 401.181953 199.7
[M+K]+ 422.111288 198.5
[M+H-H2O]+ 366.145390 179.8
[M+HCOO]- 428.146331 212.2
[M+CH3COO]- 442.161981 221.4
[M+Na-2H]- 404.122796 195.1
[M]+ 383.14758142 201.1
[M]- 383.14867858 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