CID 165943851

2-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C19H21N3
SMILES
C1CCC2=C(C1)C=CC=C2C3=CC4=C(C=C3)N=C(N4)CCN
InChI
InChI=1S/C19H21N3/c20-11-10-19-21-17-9-8-14(12-18(17)22-19)16-7-3-5-13-4-1-2-6-15(13)16/h3,5,7-9,12H,1-2,4,6,10-11,20H2,(H,21,22)
InChIKey
GCNVBMLYYDBSPM-UHFFFAOYSA-N
Compound name
2-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.17355 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.180826 168.1
[M+Na]+ 314.162768 175.8
[M-H]- 290.166274 172.0
[M+NH4]+ 309.207373 183.5
[M+K]+ 330.136708 167.9
[M+H-H2O]+ 274.170810 158.9
[M+HCOO]- 336.171751 186.0
[M+CH3COO]- 350.187401 178.2
[M+Na-2H]- 312.148216 172.7
[M]+ 291.17300142 164.6
[M]- 291.17409858 164.6
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.