CID 54693701

54535-26-1

Structural Information

Molecular Formula
C20H24N2O6
SMILES
C1CCC(CC1)N2C(=O)C(=C(C2=O)O)C3=C(C(=O)N(C3=O)C4CCCCC4)O
InChI
InChI=1S/C20H24N2O6/c23-15-13(17(25)21(19(15)27)11-7-3-1-4-8-11)14-16(24)20(28)22(18(14)26)12-9-5-2-6-10-12/h11-12,23-24H,1-10H2
InChIKey
PLIDOYUQZUATGG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(1-cyclohexyl-4-hydroxy-2,5-dioxopyrrol-3-yl)-4-hydroxypyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.16342 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17070 190.9
[M+Na]+ 411.15264 195.3
[M-H]- 387.15614 198.3
[M+NH4]+ 406.19724 201.2
[M+K]+ 427.12658 190.7
[M+H-H2O]+ 371.16068 183.0
[M+HCOO]- 433.16162 201.8
[M+CH3COO]- 447.17727 215.9
[M+Na-2H]- 409.13809 181.6
[M]+ 388.16287 183.7
[M]- 388.16397 183.7
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.