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 177.3
[M+Na]+ 350.14752 187.7
[M-H]- 326.15102 183.1
[M+NH4]+ 345.19212 191.6
[M+K]+ 366.12146 183.2
[M+H-H2O]+ 310.15556 168.0
[M+HCOO]- 372.15650 200.5
[M+CH3COO]- 386.17215 212.9
[M+Na-2H]- 348.13297 180.5
[M]+ 327.15775 184.2
[M]- 327.15885 184.2
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.