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]+ 222.12370 148.7
[M+Na]+ 244.10564 158.3
[M-H]- 220.10914 148.6
[M+NH4]+ 239.15024 166.0
[M+K]+ 260.07958 154.3
[M+H-H2O]+ 204.11368 142.0
[M+HCOO]- 266.11462 168.9
[M+CH3COO]- 280.13027 187.7
[M+Na-2H]- 242.09109 152.7
[M]+ 221.11587 149.4
[M]- 221.11697 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.