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]+ 339.14516 180.0
[M+Na]+ 361.12710 197.8
[M+NH4]+ 356.17170 186.7
[M+K]+ 377.10104 192.0
[M-H]- 337.13060 186.4
[M+Na-2H]- 359.11255 190.2
[M]+ 338.13733 184.4
[M]- 338.13843 184.4
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.