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]+ 340.14446 183.7
[M+Na]+ 362.12640 191.8
[M-H]- 338.12990 192.0
[M+NH4]+ 357.17100 191.7
[M+K]+ 378.10034 184.2
[M+H-H2O]+ 322.13444 170.3
[M+HCOO]- 384.13538 203.3
[M+CH3COO]- 398.15103 193.3
[M+Na-2H]- 360.11185 189.9
[M]+ 339.13663 183.4
[M]- 339.13773 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