CID 6604798

Dtxsid40424983

Structural Information

Molecular Formula
C19H21NO
SMILES
CCC(=O)N[C@H]1C[C@@H](C2=CC=CC=C2C1)C3=CC=CC=C3
InChI
InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)/t16-,18-/m1/s1
InChIKey
RCYLUNPFECYGDW-SJLPKXTDSA-N
Compound name
N-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

100
References

83
Patents

279.16232 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16960 165.9
[M+Na]+ 302.15154 170.6
[M-H]- 278.15504 172.5
[M+NH4]+ 297.19614 182.2
[M+K]+ 318.12548 165.7
[M+H-H2O]+ 262.15958 157.6
[M+HCOO]- 324.16052 185.9
[M+CH3COO]- 338.17617 203.9
[M+Na-2H]- 300.13699 170.2
[M]+ 279.16177 162.6
[M]- 279.16287 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.