CID 387530

Nsc681440

Structural Information

Molecular Formula
C17H14N2O6
SMILES
C1C(C2(C(CC1=O)C3=CC=CO3)C(=O)NC(=O)NC2=O)C4=CC=CO4
InChI
InChI=1S/C17H14N2O6/c20-9-7-10(12-3-1-5-24-12)17(11(8-9)13-4-2-6-25-13)14(21)18-16(23)19-15(17)22/h1-6,10-11H,7-8H2,(H2,18,19,21,22,23)
InChIKey
LTUSPZGBSKQRAC-UHFFFAOYSA-N
Compound name
7,11-bis(furan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.08517 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09245 174.3
[M+Na]+ 365.07439 182.8
[M-H]- 341.07789 183.2
[M+NH4]+ 360.11899 186.2
[M+K]+ 381.04833 179.8
[M+H-H2O]+ 325.08243 167.3
[M+HCOO]- 387.08337 189.0
[M+CH3COO]- 401.09902 184.9
[M+Na-2H]- 363.05984 173.8
[M]+ 342.08462 171.6
[M]- 342.08572 171.6
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.