CID 23184

6733-67-1

Structural Information

Molecular Formula
C20H27NO2
SMILES
CC(C)C(CCCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C20H27NO2/c1-15(2)20(19(22)23,13-8-14-21(3)4)18-12-7-10-16-9-5-6-11-17(16)18/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,22,23)
InChIKey
LARWZBCRQHNQFC-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

313.2042 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.211476 178.1
[M+Na]+ 336.193418 181.9
[M-H]- 312.196924 181.6
[M+NH4]+ 331.238023 193.2
[M+K]+ 352.167358 179.2
[M+H-H2O]+ 296.201460 171.0
[M+HCOO]- 358.202401 195.8
[M+CH3COO]- 372.218051 214.0
[M+Na-2H]- 334.178866 180.5
[M]+ 313.20365142 180.1
[M]- 313.20474858 180.1
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.