CID 165944593

2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C17H17N3O2
SMILES
C1COC2=C(O1)C=CC(=C2)C3=CC4=C(C=C3)N=C(N4)CCN
InChI
InChI=1S/C17H17N3O2/c18-6-5-17-19-13-3-1-11(9-14(13)20-17)12-2-4-15-16(10-12)22-8-7-21-15/h1-4,9-10H,5-8,18H2,(H,19,20)
InChIKey
QBXBJBGXRVNAFG-UHFFFAOYSA-N
Compound name
2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13936 168.6
[M+Na]+ 318.12130 183.4
[M+NH4]+ 313.16590 176.9
[M+K]+ 334.09524 178.1
[M-H]- 294.12480 175.6
[M+Na-2H]- 316.10675 174.3
[M]+ 295.13153 172.8
[M]- 295.13263 172.8
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.