CID 3053048

As-triazine, 5,6-diphenyl-3-(p-tolyloxy)-

Structural Information

Molecular Formula
C22H17N3O
SMILES
CC1=CC=C(C=C1)OC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H17N3O/c1-16-12-14-19(15-13-16)26-22-23-20(17-8-4-2-5-9-17)21(24-25-22)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey
PNLPWAAKHXXCJY-UHFFFAOYSA-N
Compound name
3-(4-methylphenoxy)-5,6-diphenyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

339.13718 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.144456 183.7
[M+Na]+ 362.126398 191.8
[M-H]- 338.129904 192.0
[M+NH4]+ 357.171003 191.7
[M+K]+ 378.100338 184.2
[M+H-H2O]+ 322.134440 170.3
[M+HCOO]- 384.135381 203.3
[M+CH3COO]- 398.151031 193.3
[M+Na-2H]- 360.111846 189.9
[M]+ 339.13663142 183.4
[M]- 339.13772858 183.4
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

patents stripe