CID 3067841

5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine 2-oxide

Structural Information

Molecular Formula
C17H16N4O3
SMILES
COC1=CC=C(C=C1)C2=NC(=N)N(N=C2C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C17H16N4O3/c1-23-13-7-3-11(4-8-13)15-16(20-21(22)17(18)19-15)12-5-9-14(24-2)10-6-12/h3-10,18,22H,1-2H3
InChIKey
AJPHPSPQTBEJCI-UHFFFAOYSA-N
Compound name
2-hydroxy-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12225 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12953 176.5
[M+Na]+ 347.11147 192.6
[M+NH4]+ 342.15607 182.3
[M+K]+ 363.08541 185.6
[M-H]- 323.11497 181.1
[M+Na-2H]- 345.09692 186.4
[M]+ 324.12170 180.1
[M]- 324.12280 180.1
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.