CID 71300845

Mg 28235

Structural Information

Molecular Formula
C24H32N2O4
SMILES
CCCC(=O)N1CCN(CC1)CCOC(=O)[C@@H](C)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C24H32N2O4/c1-4-5-23(27)26-12-10-25(11-13-26)14-15-30-24(28)18(2)19-6-7-21-17-22(29-3)9-8-20(21)16-19/h6-9,16-18H,4-5,10-15H2,1-3H3/t18-/m0/s1
InChIKey
XXXVSLJSKOMLRJ-SFHVURJKSA-N
Compound name
2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.2362 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24348 203.0
[M+Na]+ 435.22542 205.3
[M-H]- 411.22892 205.7
[M+NH4]+ 430.27002 210.9
[M+K]+ 451.19936 201.7
[M+H-H2O]+ 395.23346 192.0
[M+HCOO]- 457.23440 214.6
[M+CH3COO]- 471.25005 227.2
[M+Na-2H]- 433.21087 200.5
[M]+ 412.23565 204.2
[M]- 412.23675 204.2
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.