CID 3976006

4p-pdot

Structural Information

Molecular Formula
C19H21NO
SMILES
CCC(=O)NC1CC(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)
InChIKey
RCYLUNPFECYGDW-UHFFFAOYSA-N
Compound name
N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

100
References

85
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

patents stripe