CID 3053062

As-triazine, 5,6-diphenyl-3-isopropoxy-

Structural Information

Molecular Formula
C18H17N3O
SMILES
CC(C)OC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H17N3O/c1-13(2)22-18-19-16(14-9-5-3-6-10-14)17(20-21-18)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKey
VEDRKPGPRRBLMN-UHFFFAOYSA-N
Compound name
5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

291.13718 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14446 169.6
[M+Na]+ 314.12640 177.2
[M-H]- 290.12990 175.1
[M+NH4]+ 309.17100 180.2
[M+K]+ 330.10034 171.7
[M+H-H2O]+ 274.13444 158.1
[M+HCOO]- 336.13538 188.8
[M+CH3COO]- 350.15103 180.0
[M+Na-2H]- 312.11185 175.5
[M]+ 291.13663 170.2
[M]- 291.13773 170.2
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

patents stripe