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]+ 393.192116 197.7
[M+Na]+ 415.174058 205.6
[M-H]- 391.177564 203.8
[M+NH4]+ 410.218663 204.4
[M+K]+ 431.147998 199.6
[M+H-H2O]+ 375.182100 185.3
[M+HCOO]- 437.183041 217.2
[M+CH3COO]- 451.198691 225.1
[M+Na-2H]- 413.159506 199.7
[M]+ 392.18429142 201.4
[M]- 392.18538858 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.