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

3
Patents

327.1583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.165576 177.3
[M+Na]+ 350.147518 187.7
[M-H]- 326.151024 183.1
[M+NH4]+ 345.192123 191.6
[M+K]+ 366.121458 183.2
[M+H-H2O]+ 310.155560 168.0
[M+HCOO]- 372.156501 200.5
[M+CH3COO]- 386.172151 212.9
[M+Na-2H]- 348.132966 180.5
[M]+ 327.15775142 184.2
[M]- 327.15884858 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.