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 199.5
[M+Na]+ 424.12676 206.3
[M-H]- 400.13026 207.1
[M+NH4]+ 419.17136 203.9
[M+K]+ 440.10070 195.4
[M+H-H2O]+ 384.13480 189.8
[M+HCOO]- 446.13574 217.8
[M+CH3COO]- 460.15139 213.6
[M+Na-2H]- 422.11221 205.5
[M]+ 401.13699 200.1
[M]- 401.13809 200.1
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.