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 176.6
[M+Na]+ 347.11147 186.3
[M-H]- 323.11497 182.1
[M+NH4]+ 342.15607 185.6
[M+K]+ 363.08541 180.5
[M+H-H2O]+ 307.11951 165.4
[M+HCOO]- 369.12045 197.2
[M+CH3COO]- 383.13610 209.3
[M+Na-2H]- 345.09692 182.0
[M]+ 324.12170 178.3
[M]- 324.12280 178.3
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.