CID 6410618

1,2,4-triazine, 5,6-bis(4-methoxyphenyl)-3-phenoxy-, 1-oxide

Structural Information

Molecular Formula
C23H19N3O4
SMILES
COC1=CC=C(C=C1)C2=C([N+](=NC(=N2)OC3=CC=CC=C3)[O-])C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H19N3O4/c1-28-18-12-8-16(9-13-18)21-22(17-10-14-19(29-2)15-11-17)26(27)25-23(24-21)30-20-6-4-3-5-7-20/h3-15H,1-2H3
InChIKey
VTBHJYKHFIOMIV-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-1-oxido-3-phenoxy-1,2,4-triazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.13754 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.14482 197.6
[M+Na]+ 424.12676 217.8
[M+NH4]+ 419.17136 204.5
[M+K]+ 440.10070 210.4
[M-H]- 400.13026 206.0
[M+Na-2H]- 422.11221 210.1
[M]+ 401.13699 203.2
[M]- 401.13809 203.2
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.