CID 23184

1-naphthaleneacetic acid, alpha-(3-(dimethylamino)propyl)-alpha-isopropyl-, hydrochloride

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

0
Patents

313.2042 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 178.1
[M+Na]+ 336.19342 181.9
[M-H]- 312.19692 181.6
[M+NH4]+ 331.23802 193.2
[M+K]+ 352.16736 179.2
[M+H-H2O]+ 296.20146 171.0
[M+HCOO]- 358.20240 195.8
[M+CH3COO]- 372.21805 214.0
[M+Na-2H]- 334.17887 180.5
[M]+ 313.20365 180.1
[M]- 313.20475 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.