CID 3007555

107658-69-5

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CC1=CC=CC=C1C(=O)C(CN2C=NC=N2)(C3=CC=CC=C3C)O
InChI
InChI=1S/C19H19N3O2/c1-14-7-3-5-9-16(14)18(23)19(24,11-22-13-20-12-21-22)17-10-6-4-8-15(17)2/h3-10,12-13,24H,11H2,1-2H3
InChIKey
PIKNGUXIZKFPKE-UHFFFAOYSA-N
Compound name
2-hydroxy-1,2-bis(2-methylphenyl)-3-(1,2,4-triazol-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.14774 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 177.1
[M+Na]+ 344.13696 184.2
[M-H]- 320.14046 181.9
[M+NH4]+ 339.18156 187.7
[M+K]+ 360.11090 178.8
[M+H-H2O]+ 304.14500 167.0
[M+HCOO]- 366.14594 194.2
[M+CH3COO]- 380.16159 205.1
[M+Na-2H]- 342.12241 180.0
[M]+ 321.14719 177.4
[M]- 321.14829 177.4
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.