CID 6410619

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

Structural Information

Molecular Formula
C20H22N4O3
SMILES
CC(C)NC1=NC(=C([N+](=N1)[O-])C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H22N4O3/c1-13(2)21-20-22-18(14-5-9-16(26-3)10-6-14)19(24(25)23-20)15-7-11-17(27-4)12-8-15/h5-13H,1-4H3,(H,21,22,23)
InChIKey
LMRZROMCZORUFP-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-1-oxido-N-propan-2-yl-1,2,4-triazin-1-ium-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1692 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17648 189.3
[M+Na]+ 389.15842 196.0
[M-H]- 365.16192 194.3
[M+NH4]+ 384.20302 195.9
[M+K]+ 405.13236 186.0
[M+H-H2O]+ 349.16646 181.9
[M+HCOO]- 411.16740 208.0
[M+CH3COO]- 425.18305 211.8
[M+Na-2H]- 387.14387 194.5
[M]+ 366.16865 189.7
[M]- 366.16975 189.7
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.