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]+ 220.144436 150.2
[M+Na]+ 242.126378 159.9
[M-H]- 218.129884 151.2
[M+NH4]+ 237.170983 168.4
[M+K]+ 258.100318 155.9
[M+H-H2O]+ 202.134420 143.2
[M+HCOO]- 264.135361 171.3
[M+CH3COO]- 278.151011 190.9
[M+Na-2H]- 240.111826 154.0
[M]+ 219.13661142 151.6
[M]- 219.13770858 151.6
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.