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

81
Patents

279.16232 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.169596 165.9
[M+Na]+ 302.151538 170.6
[M-H]- 278.155044 172.5
[M+NH4]+ 297.196143 182.2
[M+K]+ 318.125478 165.7
[M+H-H2O]+ 262.159580 157.6
[M+HCOO]- 324.160521 185.9
[M+CH3COO]- 338.176171 203.9
[M+Na-2H]- 300.136986 170.2
[M]+ 279.16177142 162.6
[M]- 279.16286858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.