CID 467843

Chembl169437

Structural Information

Molecular Formula
C10H11Cl2N3O2
SMILES
C1=C2C(=CC(=C1Cl)Cl)N(C(=N2)N)COCCO
InChI
InChI=1S/C10H11Cl2N3O2/c11-6-3-8-9(4-7(6)12)15(10(13)14-8)5-17-2-1-16/h3-4,16H,1-2,5H2,(H2,13,14)
InChIKey
DHYJQJRCFFWWEQ-UHFFFAOYSA-N
Compound name
2-[(2-amino-5,6-dichlorobenzimidazol-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.02283 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.03011 155.7
[M+Na]+ 298.01205 168.1
[M-H]- 274.01555 156.1
[M+NH4]+ 293.05665 173.0
[M+K]+ 313.98599 161.8
[M+H-H2O]+ 258.02009 149.9
[M+HCOO]- 320.02103 168.7
[M+CH3COO]- 334.03668 195.6
[M+Na-2H]- 295.99750 159.6
[M]+ 275.02228 161.5
[M]- 275.02338 161.5
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.