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 183.8
[M+Na]+ 365.18356 186.7
[M-H]- 341.18706 185.5
[M+NH4]+ 360.22816 193.8
[M+K]+ 381.15750 182.3
[M+H-H2O]+ 325.19160 173.5
[M+HCOO]- 387.19254 195.9
[M+CH3COO]- 401.20819 210.2
[M+Na-2H]- 363.16901 184.7
[M]+ 342.19379 181.3
[M]- 342.19489 181.3
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.