CID 9588708

137522-85-1

Structural Information

Molecular Formula
C21H20N8O3
SMILES
COC1=CC=CC=C1/C=N/NC2=NC(=NC(=N2)OCC#N)N/N=C/C3=CC=CC=C3OC
InChI
InChI=1S/C21H20N8O3/c1-30-17-9-5-3-7-15(17)13-23-28-19-25-20(27-21(26-19)32-12-11-22)29-24-14-16-8-4-6-10-18(16)31-2/h3-10,13-14H,12H2,1-2H3,(H2,25,26,27,28,29)/b23-13+,24-14+
InChIKey
NIGWKPKEEYOXCX-RNIAWFEPSA-N
Compound name
2-[[4,6-bis[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1,3,5-triazin-2-yl]oxy]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.16583 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.17311 208.8
[M+Na]+ 455.15505 220.2
[M+NH4]+ 450.19965 209.5
[M+K]+ 471.12899 209.5
[M-H]- 431.15855 206.9
[M+Na-2H]- 453.14050 214.3
[M]+ 432.16528 208.8
[M]- 432.16638 208.8
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.