CID 467866

Chembl170657

Structural Information

Molecular Formula
C11H13Cl2N3O3
SMILES
C1=C2C(=CC(=C1Cl)Cl)N(C(=N2)N)COC(CO)CO
InChI
InChI=1S/C11H13Cl2N3O3/c12-7-1-9-10(2-8(7)13)16(11(14)15-9)5-19-6(3-17)4-18/h1-2,6,17-18H,3-5H2,(H2,14,15)
InChIKey
ZDMJHCIZGHFKRI-UHFFFAOYSA-N
Compound name
2-[(2-amino-5,6-dichlorobenzimidazol-1-yl)methoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.0334 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.04068 161.9
[M+Na]+ 328.02262 173.0
[M-H]- 304.02612 161.2
[M+NH4]+ 323.06722 177.2
[M+K]+ 343.99656 166.9
[M+H-H2O]+ 288.03066 156.4
[M+HCOO]- 350.03160 172.5
[M+CH3COO]- 364.04725 199.3
[M+Na-2H]- 326.00807 164.1
[M]+ 305.03285 167.3
[M]- 305.03395 167.3
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.