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

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 168.1
[M+Na]+ 314.16277 175.8
[M-H]- 290.16627 172.0
[M+NH4]+ 309.20737 183.5
[M+K]+ 330.13671 167.9
[M+H-H2O]+ 274.17081 158.9
[M+HCOO]- 336.17175 186.0
[M+CH3COO]- 350.18740 178.2
[M+Na-2H]- 312.14822 172.7
[M]+ 291.17300 164.6
[M]- 291.17410 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.