CID 71300830

Mg 28191 bis(methanesulfonate)

Structural Information

Molecular Formula
C20H26N2O3
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCNCC3
InChI
InChI=1S/C20H26N2O3/c1-15(20(23)25-12-11-22-9-7-21-8-10-22)16-3-4-18-14-19(24-2)6-5-17(18)13-16/h3-6,13-15,21H,7-12H2,1-2H3/t15-/m0/s1
InChIKey
MJJXVEPFHAODSG-HNNXBMFYSA-N
Compound name
2-piperazin-1-ylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 183.9
[M+Na]+ 365.18356 195.4
[M+NH4]+ 360.22816 190.3
[M+K]+ 381.15750 188.7
[M-H]- 341.18706 186.1
[M+Na-2H]- 363.16901 188.6
[M]+ 342.19379 185.9
[M]- 342.19489 185.9
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.