CID 165944590

2-[5-(2,3-dimethoxyphenyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C17H19N3O2
SMILES
COC1=CC=CC(=C1OC)C2=CC3=C(C=C2)N=C(N3)CCN
InChI
InChI=1S/C17H19N3O2/c1-21-15-5-3-4-12(17(15)22-2)11-6-7-13-14(10-11)20-16(19-13)8-9-18/h3-7,10H,8-9,18H2,1-2H3,(H,19,20)
InChIKey
JSVBQELITJIFAP-UHFFFAOYSA-N
Compound name
2-[6-(2,3-dimethoxyphenyl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.14774 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.155016 169.3
[M+Na]+ 320.136958 179.0
[M-H]- 296.140464 173.5
[M+NH4]+ 315.181563 184.0
[M+K]+ 336.110898 173.3
[M+H-H2O]+ 280.145000 160.5
[M+HCOO]- 342.145941 191.3
[M+CH3COO]- 356.161591 180.7
[M+Na-2H]- 318.122406 173.3
[M]+ 297.14719142 172.3
[M]- 297.14828858 172.3
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.