CID 20116474

1-amino-3-(5,6-dimethyl-1h-1,3-benzodiazol-1-yl)propan-2-ol dihydrochloride

Structural Information

Molecular Formula
C12H17N3O
SMILES
CC1=CC2=C(C=C1C)N(C=N2)CC(CN)O
InChI
InChI=1S/C12H17N3O/c1-8-3-11-12(4-9(8)2)15(7-14-11)6-10(16)5-13/h3-4,7,10,16H,5-6,13H2,1-2H3
InChIKey
XPRVSNSRIYMSFV-UHFFFAOYSA-N
Compound name
1-amino-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.13716 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 149.3
[M+Na]+ 242.12638 161.2
[M+NH4]+ 237.17098 156.7
[M+K]+ 258.10032 157.4
[M-H]- 218.12988 150.3
[M+Na-2H]- 240.11183 153.9
[M]+ 219.13661 151.1
[M]- 219.13771 151.1
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.