CID 201725

Alpha-isopropyl-alpha-1-naphthyl-4-morpholinebutyric acid hydrochloride

Structural Information

Molecular Formula
C21H27NO3
SMILES
CC(C)C(CCN1CCOCC1)(C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C21H27NO3/c1-16(2)21(20(23)24,10-11-22-12-14-25-15-13-22)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,16H,10-15H2,1-2H3,(H,23,24)
InChIKey
JUFCLHZYNGZWRM-UHFFFAOYSA-N
Compound name
3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1991 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.206376 183.4
[M+Na]+ 364.188318 185.6
[M-H]- 340.191824 187.0
[M+NH4]+ 359.232923 193.4
[M+K]+ 380.162258 182.8
[M+H-H2O]+ 324.196360 174.5
[M+HCOO]- 386.197301 194.2
[M+CH3COO]- 400.212951 210.5
[M+Na-2H]- 362.173766 186.1
[M]+ 341.19855142 180.7
[M]- 341.19964858 180.7
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.