CID 165978675

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

Structural Information

Molecular Formula
C18H21N3O3
SMILES
COC1=CC=CC(=C1)N2C3=CC(=C(C=C3N=C2CCN)OC)OC
InChI
InChI=1S/C18H21N3O3/c1-22-13-6-4-5-12(9-13)21-15-11-17(24-3)16(23-2)10-14(15)20-18(21)7-8-19/h4-6,9-11H,7-8,19H2,1-3H3
InChIKey
UPRZCMMRLKMYME-UHFFFAOYSA-N
Compound name
2-[5,6-dimethoxy-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16558 177.9
[M+Na]+ 350.14752 192.2
[M+NH4]+ 345.19212 184.8
[M+K]+ 366.12146 186.8
[M-H]- 326.15102 181.5
[M+Na-2H]- 348.13297 184.6
[M]+ 327.15775 180.9
[M]- 327.15885 180.9
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.