CID 22869

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

Structural Information

Molecular Formula
C19H25NO2
SMILES
CCC(CCCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C19H25NO2/c1-4-19(18(21)22,13-8-14-20(2)3)17-12-7-10-15-9-5-6-11-16(15)17/h5-7,9-12H,4,8,13-14H2,1-3H3,(H,21,22)
InChIKey
ZIHBYLGRKYCYTL-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-ethyl-2-naphthalen-1-ylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.18854 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19582 173.2
[M+Na]+ 322.17776 184.3
[M+NH4]+ 317.22236 180.8
[M+K]+ 338.15170 177.7
[M-H]- 298.18126 175.5
[M+Na-2H]- 320.16321 178.7
[M]+ 299.18799 175.4
[M]- 299.18909 175.4
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.