CID 3068306

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

Structural Information

Molecular Formula
C17H17Cl2N3O2
SMILES
C1=COC(=C1)CNCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C17H17Cl2N3O2/c18-13-3-4-15(16(19)8-13)17(23,11-22-6-5-20-12-22)10-21-9-14-2-1-7-24-14/h1-8,12,21,23H,9-11H2
InChIKey
CRQHQQSOLWMKIC-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-(furan-2-ylmethylamino)-3-imidazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0698 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.07708 184.3
[M+Na]+ 388.05902 193.2
[M-H]- 364.06252 190.7
[M+NH4]+ 383.10362 196.4
[M+K]+ 404.03296 187.0
[M+H-H2O]+ 348.06706 175.7
[M+HCOO]- 410.06800 196.5
[M+CH3COO]- 424.08365 194.5
[M+Na-2H]- 386.04447 187.1
[M]+ 365.06925 190.1
[M]- 365.07035 190.1
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.