CID 335630

72744-94-6

Structural Information

Molecular Formula
C24H36N4O6
SMILES
C1COCCN1CC2=C(C(=C(C(=O)C2=O)CN3CCOCC3)N4CCOCC4)N5CCOCC5
InChI
InChI=1S/C24H36N4O6/c29-23-19(17-25-1-9-31-10-2-25)21(27-5-13-33-14-6-27)22(28-7-15-34-16-8-28)20(24(23)30)18-26-3-11-32-12-4-26/h1-18H2
InChIKey
KSFOPNSTURYOCZ-UHFFFAOYSA-N
Compound name
4,5-dimorpholin-4-yl-3,6-bis(morpholin-4-ylmethyl)cyclohexa-3,5-diene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.2635 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.27078 223.1
[M+Na]+ 499.25272 220.9
[M-H]- 475.25622 231.3
[M+NH4]+ 494.29732 217.2
[M+K]+ 515.22666 220.7
[M+H-H2O]+ 459.26076 207.2
[M+HCOO]- 521.26170 220.9
[M+CH3COO]- 535.27735 224.9
[M+Na-2H]- 497.23817 216.5
[M]+ 476.26295 212.3
[M]- 476.26405 212.3
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.