CID 24840401

Mg 28136

Structural Information

Molecular Formula
C36H42N2O6
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCN(CC3)CCOC(=O)[C@@H](C)C4=CC5=C(C=C4)C=C(C=C5)OC
InChI
InChI=1S/C36H42N2O6/c1-25(27-5-7-31-23-33(41-3)11-9-29(31)21-27)35(39)43-19-17-37-13-15-38(16-14-37)18-20-44-36(40)26(2)28-6-8-32-24-34(42-4)12-10-30(32)22-28/h5-12,21-26H,13-20H2,1-4H3/t25-,26-/m0/s1
InChIKey
SMTKYORFZSFAQI-UIOOFZCWSA-N
Compound name
2-[4-[2-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxyethyl]piperazin-1-yl]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.30426 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.31154 247.4
[M+Na]+ 621.29348 260.6
[M+NH4]+ 616.33808 251.6
[M+K]+ 637.26742 252.7
[M-H]- 597.29698 252.1
[M+Na-2H]- 619.27893 252.3
[M]+ 598.30371 250.6
[M]- 598.30481 250.6
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.