CID 3062888

St 889

Structural Information

Molecular Formula
C20H20N4O2
SMILES
COC1=CC=C(C=C1)C2=C(N=NC(=N2)NCC=C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H20N4O2/c1-4-13-21-20-22-18(14-5-9-16(25-2)10-6-14)19(23-24-20)15-7-11-17(26-3)12-8-15/h4-12H,1,13H2,2-3H3,(H,21,22,24)
InChIKey
CLOFTSRIUIZNII-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.15863 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16591 185.5
[M+Na]+ 371.14785 193.6
[M-H]- 347.15135 191.4
[M+NH4]+ 366.19245 193.9
[M+K]+ 387.12179 187.2
[M+H-H2O]+ 331.15589 173.3
[M+HCOO]- 393.15683 206.4
[M+CH3COO]- 407.17248 216.9
[M+Na-2H]- 369.13330 190.5
[M]+ 348.15808 188.2
[M]- 348.15918 188.2
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.