CID 165943382

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

Structural Information

Molecular Formula
C19H21N3
SMILES
C1CCC2=C(C1)C=CC(=C2)C3=CC4=C(C=C3)N=C(N4)CCN
InChI
InChI=1S/C19H21N3/c20-10-9-19-21-17-8-7-16(12-18(17)22-19)15-6-5-13-3-1-2-4-14(13)11-15/h5-8,11-12H,1-4,9-10,20H2,(H,21,22)
InChIKey
GLOKBTOBBXLXKB-UHFFFAOYSA-N
Compound name
2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.17355 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.18083 170.0
[M+Na]+ 314.16277 184.5
[M+NH4]+ 309.20737 179.4
[M+K]+ 330.13671 177.0
[M-H]- 290.16627 175.2
[M+Na-2H]- 312.14822 177.3
[M]+ 291.17300 173.6
[M]- 291.17410 173.6
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.