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 167.3
[M+Na]+ 320.12572 172.2
[M-H]- 296.12922 171.7
[M+NH4]+ 315.17032 181.5
[M+K]+ 336.09966 167.3
[M+H-H2O]+ 280.13376 159.6
[M+HCOO]- 342.13470 185.0
[M+CH3COO]- 356.15035 202.4
[M+Na-2H]- 318.11117 170.9
[M]+ 297.13595 163.5
[M]- 297.13705 163.5
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.