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]+ 349.165906 185.5
[M+Na]+ 371.147848 193.6
[M-H]- 347.151354 191.4
[M+NH4]+ 366.192453 193.9
[M+K]+ 387.121788 187.2
[M+H-H2O]+ 331.155890 173.3
[M+HCOO]- 393.156831 206.4
[M+CH3COO]- 407.172481 216.9
[M+Na-2H]- 369.133296 190.5
[M]+ 348.15808142 188.2
[M]- 348.15917858 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.