CID 3007605

107659-28-9

Structural Information

Molecular Formula
C17H15N3O2
SMILES
C1=CC=C(C=C1)C(=O)C(CN2C=NN=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C17H15N3O2/c21-16(14-7-3-1-4-8-14)17(22,11-20-12-18-19-13-20)15-9-5-2-6-10-15/h1-10,12-13,22H,11H2
InChIKey
CUTFFXFSISUXBK-UHFFFAOYSA-N
Compound name
2-hydroxy-1,2-diphenyl-3-(1,2,4-triazol-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.11642 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.123696 167.5
[M+Na]+ 316.105638 173.6
[M-H]- 292.109144 171.8
[M+NH4]+ 311.150243 178.6
[M+K]+ 332.079578 168.6
[M+H-H2O]+ 276.113680 157.3
[M+HCOO]- 338.114621 185.3
[M+CH3COO]- 352.130271 177.4
[M+Na-2H]- 314.091086 172.9
[M]+ 293.11587142 166.3
[M]- 293.11696858 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.