CID 3007582

107658-97-9

Structural Information

Molecular Formula
C18H15Cl2N3O2
SMILES
C1=CC=C(C=C1)CC(CN2C=NC=N2)(C(=O)C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C18H15Cl2N3O2/c19-14-6-7-15(16(20)8-14)17(24)18(25,10-23-12-21-11-22-23)9-13-4-2-1-3-5-13/h1-8,11-12,25H,9-10H2
InChIKey
AFQCVQPSMMHHRB-UHFFFAOYSA-N
Compound name
2-benzyl-1-(2,4-dichlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.05414 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.06142 184.1
[M+Na]+ 398.04336 192.5
[M-H]- 374.04686 188.0
[M+NH4]+ 393.08796 193.9
[M+K]+ 414.01730 184.9
[M+H-H2O]+ 358.05140 174.1
[M+HCOO]- 420.05234 191.6
[M+CH3COO]- 434.06799 193.0
[M+Na-2H]- 396.02881 186.2
[M]+ 375.05359 187.3
[M]- 375.05469 187.3
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.