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]+ 343.201616 183.8
[M+Na]+ 365.183558 186.7
[M-H]- 341.187064 185.5
[M+NH4]+ 360.228163 193.8
[M+K]+ 381.157498 182.3
[M+H-H2O]+ 325.191600 173.5
[M+HCOO]- 387.192541 195.9
[M+CH3COO]- 401.208191 210.2
[M+Na-2H]- 363.169006 184.7
[M]+ 342.19379142 181.3
[M]- 342.19488858 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.