CID 131752653

Dipiperamide c

Structural Information

Molecular Formula
C33H36N2O6
SMILES
C1CCN(CC1)C(=O)C2C(C(C2C(=O)N3CCCC3)/C=C/C4=CC5=C(C=C4)OCO5)/C=C/C6=CC7=C(C=C6)OCO7
InChI
InChI=1S/C33H36N2O6/c36-32(34-14-2-1-3-15-34)30-24(10-6-22-8-12-26-28(18-22)40-20-38-26)25(31(30)33(37)35-16-4-5-17-35)11-7-23-9-13-27-29(19-23)41-21-39-27/h6-13,18-19,24-25,30-31H,1-5,14-17,20-21H2/b10-6+,11-7+
InChIKey
MCEKBNRLKGLRNJ-JMQWPVDRSA-N
Compound name
[2,3-bis[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(pyrrolidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.2573 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.26458 227.1
[M+Na]+ 579.24652 231.9
[M+NH4]+ 574.29112 228.1
[M+K]+ 595.22046 234.4
[M-H]- 555.25002 234.4
[M+Na-2H]- 577.23197 224.3
[M]+ 556.25675 228.4
[M]- 556.25785 228.4
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

patents stripe