CID 41975

Brn 0736950

Structural Information

Molecular Formula
C34H44N2O6
SMILES
C=CCC1(C(=O)C(C(=O)N(C1=O)C2CCCCC2)C3C(=O)C(C(=O)N(C3=O)C4CCCCC4)(CC=C)CC=C)CC=C
InChI
InChI=1S/C34H44N2O6/c1-5-19-33(20-6-2)27(37)25(29(39)35(31(33)41)23-15-11-9-12-16-23)26-28(38)34(21-7-3,22-8-4)32(42)36(30(26)40)24-17-13-10-14-18-24/h5-8,23-26H,1-4,9-22H2
InChIKey
HVIDDHLYHYDXRE-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-[1-cyclohexyl-2,4,6-trioxo-5,5-bis(prop-2-enyl)piperidin-3-yl]-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.31995 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.32723 235.8
[M+Na]+ 599.30917 236.9
[M-H]- 575.31267 241.8
[M+NH4]+ 594.35377 239.5
[M+K]+ 615.28311 229.7
[M+H-H2O]+ 559.31721 224.7
[M+HCOO]- 621.31815 238.4
[M+CH3COO]- 635.33380 261.5
[M+Na-2H]- 597.29462 224.5
[M]+ 576.31940 226.9
[M]- 576.32050 226.9
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.