CID 24847123

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

Structural Information

Molecular Formula
C18H18N4O3
SMILES
CNC1=NC(=C([N+](=N1)[O-])C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H18N4O3/c1-19-18-20-16(12-4-8-14(24-2)9-5-12)17(22(23)21-18)13-6-10-15(25-3)11-7-13/h4-11H,1-3H3,(H,19,20,21)
InChIKey
HMFYBXAKJJONFQ-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-N-methyl-1-oxido-1,2,4-triazin-1-ium-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.13788 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.145156 181.0
[M+Na]+ 361.127098 188.9
[M-H]- 337.130604 186.2
[M+NH4]+ 356.171703 188.9
[M+K]+ 377.101038 178.7
[M+H-H2O]+ 321.135140 173.8
[M+HCOO]- 383.136081 201.3
[M+CH3COO]- 397.151731 205.1
[M+Na-2H]- 359.112546 188.3
[M]+ 338.13733142 181.3
[M]- 338.13842858 181.3
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.