CID 27718

N-beta-tetra-hydronaphthyl noradrenalone hydrochloride

Structural Information

Molecular Formula
C18H19NO3
SMILES
C1CC2=CC=CC=C2CC1NCC(=O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C18H19NO3/c20-16-8-6-14(10-17(16)21)18(22)11-19-15-7-5-12-3-1-2-4-13(12)9-15/h1-4,6,8,10,15,19-21H,5,7,9,11H2
InChIKey
JMOUGBQKIVGBAL-UHFFFAOYSA-N
Compound name
1-(3,4-dihydroxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 169.3
[M+Na]+ 320.12572 181.6
[M+NH4]+ 315.17032 177.2
[M+K]+ 336.09966 174.7
[M-H]- 296.12922 173.6
[M+Na-2H]- 318.11117 175.7
[M]+ 297.13595 172.1
[M]- 297.13705 172.1
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.