CID 3062889

St 890

Structural Information

Molecular Formula
C23H19N3O3
SMILES
COC1=CC=C(C=C1)C2=C(N=NC(=N2)OC3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H19N3O3/c1-27-18-12-8-16(9-13-18)21-22(17-10-14-19(28-2)15-11-17)25-26-23(24-21)29-20-6-4-3-5-7-20/h3-15H,1-2H3
InChIKey
ZYJPJJWBRBGNIA-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-3-phenoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.14264 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14992 194.8
[M+Na]+ 408.13186 202.9
[M-H]- 384.13536 203.4
[M+NH4]+ 403.17646 201.0
[M+K]+ 424.10580 196.6
[M+H-H2O]+ 368.13990 180.8
[M+HCOO]- 430.14084 214.3
[M+CH3COO]- 444.15649 203.9
[M+Na-2H]- 406.11731 199.7
[M]+ 385.14209 197.9
[M]- 385.14319 197.9
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.