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 150.2
[M+Na]+ 242.12638 159.9
[M-H]- 218.12988 151.2
[M+NH4]+ 237.17098 168.4
[M+K]+ 258.10032 155.9
[M+H-H2O]+ 202.13442 143.2
[M+HCOO]- 264.13536 171.3
[M+CH3COO]- 278.15101 190.9
[M+Na-2H]- 240.11183 154.0
[M]+ 219.13661 151.6
[M]- 219.13771 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.