CID 3068303

2-(2,4-dichlorophenyl)-3-(2-hydroxyethylamino)-1-(imidazol-1-yl)-2-propanol oxalate

Structural Information

Molecular Formula
C14H17Cl2N3O2
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CNCCO)(CN2C=CN=C2)O
InChI
InChI=1S/C14H17Cl2N3O2/c15-11-1-2-12(13(16)7-11)14(21,8-17-4-6-20)9-19-5-3-18-10-19/h1-3,5,7,10,17,20-21H,4,6,8-9H2
InChIKey
LVVIJMCPRYJWHA-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-(2-hydroxyethylamino)-3-imidazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0698 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07708 173.6
[M+Na]+ 352.05902 181.3
[M-H]- 328.06252 174.4
[M+NH4]+ 347.10362 186.4
[M+K]+ 368.03296 174.2
[M+H-H2O]+ 312.06706 166.2
[M+HCOO]- 374.06800 183.0
[M+CH3COO]- 388.08365 202.0
[M+Na-2H]- 350.04447 176.8
[M]+ 329.06925 176.1
[M]- 329.07035 176.1
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.