CID 3067841

Dtxsid101002482

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]+ 325.129526 176.6
[M+Na]+ 347.111468 186.3
[M-H]- 323.114974 182.1
[M+NH4]+ 342.156073 185.6
[M+K]+ 363.085408 180.5
[M+H-H2O]+ 307.119510 165.4
[M+HCOO]- 369.120451 197.2
[M+CH3COO]- 383.136101 209.3
[M+Na-2H]- 345.096916 182.0
[M]+ 324.12170142 178.3
[M]- 324.12279858 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.