CID 71300835

Mg 28199

Structural Information

Molecular Formula
C21H28N2O3
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCN(CC3)C
InChI
InChI=1S/C21H28N2O3/c1-16(21(24)26-13-12-23-10-8-22(2)9-11-23)17-4-5-19-15-20(25-3)7-6-18(19)14-17/h4-7,14-16H,8-13H2,1-3H3/t16-/m0/s1
InChIKey
CBVJNCUEPFCOOK-INIZCTEOSA-N
Compound name
2-(4-methylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 187.7
[M+Na]+ 379.19922 200.0
[M+NH4]+ 374.24382 194.4
[M+K]+ 395.17316 192.9
[M-H]- 355.20272 190.6
[M+Na-2H]- 377.18467 192.6
[M]+ 356.20945 190.2
[M]- 356.21055 190.2
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.