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]+ 357.217276 188.5
[M+Na]+ 379.199218 192.3
[M-H]- 355.202724 191.7
[M+NH4]+ 374.243823 199.0
[M+K]+ 395.173158 188.6
[M+H-H2O]+ 339.207260 177.9
[M+HCOO]- 401.208201 201.8
[M+CH3COO]- 415.223851 216.8
[M+Na-2H]- 377.184666 188.5
[M]+ 356.20945142 188.6
[M]- 356.21054858 188.6
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.