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]+ 298.143776 167.3
[M+Na]+ 320.125718 172.2
[M-H]- 296.129224 171.7
[M+NH4]+ 315.170323 181.5
[M+K]+ 336.099658 167.3
[M+H-H2O]+ 280.133760 159.6
[M+HCOO]- 342.134701 185.0
[M+CH3COO]- 356.150351 202.4
[M+Na-2H]- 318.111166 170.9
[M]+ 297.13595142 163.5
[M]- 297.13704858 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.