CID 22894

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

Structural Information

Molecular Formula
C22H31NO2
SMILES
CCN(CC)CCCC(C1=CC=CC2=CC=CC=C21)(C(C)C)C(=O)O
InChI
InChI=1S/C22H31NO2/c1-5-23(6-2)16-10-15-22(17(3)4,21(24)25)20-14-9-12-18-11-7-8-13-19(18)20/h7-9,11-14,17H,5-6,10,15-16H2,1-4H3,(H,24,25)
InChIKey
KIIAKEVBHNZJFE-UHFFFAOYSA-N
Compound name
5-(diethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.24275 186.3
[M+Na]+ 364.22469 196.3
[M+NH4]+ 359.26929 193.1
[M+K]+ 380.19863 189.9
[M-H]- 340.22819 188.2
[M+Na-2H]- 362.21014 190.6
[M]+ 341.23492 188.2
[M]- 341.23602 188.2
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.