CID 65313843

2-(5-amino-2-methyl-1h-1,3-benzodiazol-1-yl)propane-1,3-diol

Structural Information

Molecular Formula
C11H15N3O2
SMILES
CC1=NC2=C(N1C(CO)CO)C=CC(=C2)N
InChI
InChI=1S/C11H15N3O2/c1-7-13-10-4-8(12)2-3-11(10)14(7)9(5-15)6-16/h2-4,9,15-16H,5-6,12H2,1H3
InChIKey
VAXLNPSJYSYGSY-UHFFFAOYSA-N
Compound name
2-(5-amino-2-methylbenzimidazol-1-yl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.123696 148.7
[M+Na]+ 244.105638 158.3
[M-H]- 220.109144 148.6
[M+NH4]+ 239.150243 166.0
[M+K]+ 260.079578 154.3
[M+H-H2O]+ 204.113680 142.0
[M+HCOO]- 266.114621 168.9
[M+CH3COO]- 280.130271 187.7
[M+Na-2H]- 242.091086 152.7
[M]+ 221.11587142 149.4
[M]- 221.11696858 149.4
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.