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

0
Patents

297.14774 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15502 169.3
[M+Na]+ 320.13696 179.0
[M-H]- 296.14046 173.5
[M+NH4]+ 315.18156 184.0
[M+K]+ 336.11090 173.3
[M+H-H2O]+ 280.14500 160.5
[M+HCOO]- 342.14594 191.3
[M+CH3COO]- 356.16159 180.7
[M+Na-2H]- 318.12241 173.3
[M]+ 297.14719 172.3
[M]- 297.14829 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.