CID 167739120

1-{1-[2-(2-methoxyethoxy)ethyl]-1h-1,3-benzodiazol-2-yl}methanamine dihydrochloride

Structural Information

Molecular Formula
C13H19N3O2
SMILES
COCCOCCN1C2=CC=CC=C2N=C1CN
InChI
InChI=1S/C13H19N3O2/c1-17-8-9-18-7-6-16-12-5-3-2-4-11(12)15-13(16)10-14/h2-5H,6-10,14H2,1H3
InChIKey
ROOPCDZIASACCY-UHFFFAOYSA-N
Compound name
[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.14772 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.154996 156.0
[M+Na]+ 272.136938 164.9
[M-H]- 248.140444 157.6
[M+NH4]+ 267.181543 173.3
[M+K]+ 288.110878 161.6
[M+H-H2O]+ 232.144980 147.8
[M+HCOO]- 294.145921 179.6
[M+CH3COO]- 308.161571 196.4
[M+Na-2H]- 270.122386 161.8
[M]+ 249.14717142 161.3
[M]- 249.14826858 161.3
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.