CID 201296

5786-60-7

Structural Information

Molecular Formula
C20H25NO3
SMILES
CCC(CCN1CCOCC1)(C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C20H25NO3/c1-2-20(19(22)23,10-11-21-12-14-24-15-13-21)18-9-5-7-16-6-3-4-8-17(16)18/h3-9H,2,10-15H2,1H3,(H,22,23)
InChIKey
XLEAMLWBTVCDGH-UHFFFAOYSA-N
Compound name
2-ethyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

327.18344 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.190716 179.3
[M+Na]+ 350.172658 182.2
[M-H]- 326.176164 183.0
[M+NH4]+ 345.217263 190.0
[M+K]+ 366.146598 179.0
[M+H-H2O]+ 310.180700 170.3
[M+HCOO]- 372.181641 191.4
[M+CH3COO]- 386.197291 206.7
[M+Na-2H]- 348.158106 183.6
[M]+ 327.18289142 176.9
[M]- 327.18398858 176.9
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.