CID 3067839

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

Structural Information

Molecular Formula
C22H24N4O3
SMILES
CC(=CCN=C1N=C(C(=NN1O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C
InChI
InChI=1S/C22H24N4O3/c1-15(2)13-14-23-22-24-20(16-5-9-18(28-3)10-6-16)21(25-26(22)27)17-7-11-19(29-4)12-8-17/h5-13,27H,14H2,1-4H3
InChIKey
WQNHGNAYRCAKJS-UHFFFAOYSA-N
Compound name
2-hydroxy-5,6-bis(4-methoxyphenyl)-N-(3-methylbut-2-enyl)-1,2,4-triazin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.18484 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.19212 197.7
[M+Na]+ 415.17406 205.6
[M-H]- 391.17756 203.8
[M+NH4]+ 410.21866 204.4
[M+K]+ 431.14800 199.6
[M+H-H2O]+ 375.18210 185.3
[M+HCOO]- 437.18304 217.2
[M+CH3COO]- 451.19869 225.1
[M+Na-2H]- 413.15951 199.7
[M]+ 392.18429 201.4
[M]- 392.18539 201.4
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.