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 166.9
[M+Na]+ 318.12130 175.6
[M-H]- 294.12480 172.5
[M+NH4]+ 313.16590 179.4
[M+K]+ 334.09524 171.4
[M+H-H2O]+ 278.12934 158.1
[M+HCOO]- 340.13028 183.9
[M+CH3COO]- 354.14593 177.8
[M+Na-2H]- 316.10675 173.3
[M]+ 295.13153 166.8
[M]- 295.13263 166.8
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.