CID 3074637

3-(4-glycidyloxyphenyl)-6-phenyl-1,2,4-triazone

Structural Information

Molecular Formula
C18H15N3O2
SMILES
C1C(O1)COC2=CC=C(C=C2)C3=NC=C(N=N3)C4=CC=CC=C4
InChI
InChI=1S/C18H15N3O2/c1-2-4-13(5-3-1)17-10-19-18(21-20-17)14-6-8-15(9-7-14)22-11-16-12-23-16/h1-10,16H,11-12H2
InChIKey
YGOHNDGGTJDMOH-UHFFFAOYSA-N
Compound name
3-[4-(oxiran-2-ylmethoxy)phenyl]-6-phenyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.11642 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12370 178.0
[M+Na]+ 328.10564 187.7
[M-H]- 304.10914 187.2
[M+NH4]+ 323.15024 182.1
[M+K]+ 344.07958 182.9
[M+H-H2O]+ 288.11368 166.0
[M+HCOO]- 350.11462 198.2
[M+CH3COO]- 364.13027 188.0
[M+Na-2H]- 326.09109 184.6
[M]+ 305.11587 181.4
[M]- 305.11697 181.4
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

No patent data available for this compound.