CID 165468779

2-[5,6-dimethoxy-1-(2-methoxyethyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C14H21N3O3
SMILES
COCCN1C2=CC(=C(C=C2N=C1CCN)OC)OC
InChI
InChI=1S/C14H21N3O3/c1-18-7-6-17-11-9-13(20-3)12(19-2)8-10(11)16-14(17)4-5-15/h8-9H,4-7,15H2,1-3H3
InChIKey
WYUWSERCXLULJC-UHFFFAOYSA-N
Compound name
2-[5,6-dimethoxy-1-(2-methoxyethyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1583 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.165576 164.2
[M+Na]+ 302.147518 174.2
[M-H]- 278.151024 166.4
[M+NH4]+ 297.192123 180.8
[M+K]+ 318.121458 171.3
[M+H-H2O]+ 262.155560 156.2
[M+HCOO]- 324.156501 187.5
[M+CH3COO]- 338.172151 203.9
[M+Na-2H]- 300.132966 168.0
[M]+ 279.15775142 172.0
[M]- 279.15884858 172.0
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.