CID 388184

Nsc682749

Structural Information

Molecular Formula
C27H32N2O10
SMILES
CCC1(C(=O)N(N(C1=O)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)CC
InChI
InChI=1S/C27H32N2O10/c1-9-27(10-2)25(32)28(23(30)15-11-17(34-3)21(38-7)18(12-15)35-4)29(26(27)33)24(31)16-13-19(36-5)22(39-8)20(14-16)37-6/h11-14H,9-10H2,1-8H3
InChIKey
CZOBBLJJGIZKRW-UHFFFAOYSA-N
Compound name
4,4-diethyl-1,2-bis(3,4,5-trimethoxybenzoyl)pyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.2057 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.21298 218.1
[M+Na]+ 567.19492 225.8
[M-H]- 543.19842 226.5
[M+NH4]+ 562.23952 224.5
[M+K]+ 583.16886 226.3
[M+H-H2O]+ 527.20296 209.3
[M+HCOO]- 589.20390 234.8
[M+CH3COO]- 603.21955 253.3
[M+Na-2H]- 565.18037 212.6
[M]+ 544.20515 232.5
[M]- 544.20625 232.5
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.