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]+ 342.20638 183.4
[M+Na]+ 364.18832 185.6
[M-H]- 340.19182 187.0
[M+NH4]+ 359.23292 193.4
[M+K]+ 380.16226 182.8
[M+H-H2O]+ 324.19636 174.5
[M+HCOO]- 386.19730 194.2
[M+CH3COO]- 400.21295 210.5
[M+Na-2H]- 362.17377 186.1
[M]+ 341.19855 180.7
[M]- 341.19965 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.