CID 467872

Chembl170824

Structural Information

Molecular Formula
C12H15Cl2N3O3
SMILES
CNC1=NC2=C(N1COC(CO)CO)C=C(C=C2Cl)Cl
InChI
InChI=1S/C12H15Cl2N3O3/c1-15-12-16-11-9(14)2-7(13)3-10(11)17(12)6-20-8(4-18)5-19/h2-3,8,18-19H,4-6H2,1H3,(H,15,16)
InChIKey
GNAGHKAUMWSZEM-UHFFFAOYSA-N
Compound name
2-[[4,6-dichloro-2-(methylamino)benzimidazol-1-yl]methoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.04904 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.05632 166.1
[M+Na]+ 342.03826 176.7
[M-H]- 318.04176 165.7
[M+NH4]+ 337.08286 181.1
[M+K]+ 358.01220 170.8
[M+H-H2O]+ 302.04630 160.4
[M+HCOO]- 364.04724 177.0
[M+CH3COO]- 378.06289 202.7
[M+Na-2H]- 340.02371 168.8
[M]+ 319.04849 172.8
[M]- 319.04959 172.8
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.