CID 3067838

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

Structural Information

Molecular Formula
C20H20N4O3
SMILES
COC1=CC=C(C=C1)C2=NC(=NCC=C)N(N=C2C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C20H20N4O3/c1-4-13-21-20-22-18(14-5-9-16(26-2)10-6-14)19(23-24(20)25)15-7-11-17(27-3)12-8-15/h4-12,25H,1,13H2,2-3H3
InChIKey
CLLMYFJMDAAICR-UHFFFAOYSA-N
Compound name
2-hydroxy-5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.15353 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16081 188.9
[M+Na]+ 387.14275 198.0
[M-H]- 363.14625 195.3
[M+NH4]+ 382.18735 196.9
[M+K]+ 403.11669 191.8
[M+H-H2O]+ 347.15079 176.7
[M+HCOO]- 409.15173 210.1
[M+CH3COO]- 423.16738 219.0
[M+Na-2H]- 385.12820 193.1
[M]+ 364.15298 192.6
[M]- 364.15408 192.6
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.