CID 93771

57683-72-4

Structural Information

Molecular Formula
C14H16N2O12S
SMILES
C1CC(=O)N(C1=O)OC(=O)OCCS(=O)(=O)CCOC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C14H16N2O12S/c17-9-1-2-10(18)15(9)27-13(21)25-5-7-29(23,24)8-6-26-14(22)28-16-11(19)3-4-12(16)20/h1-8H2
InChIKey
XUDGDVPXDYGCTG-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethylsulfonyl]ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

4850
Patents

436.0424 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.04968 186.6
[M+Na]+ 459.03162 191.3
[M-H]- 435.03512 190.6
[M+NH4]+ 454.07622 196.3
[M+K]+ 475.00556 192.7
[M+H-H2O]+ 419.03966 181.3
[M+HCOO]- 481.04060 199.3
[M+CH3COO]- 495.05625 217.1
[M+Na-2H]- 457.01707 184.2
[M]+ 436.04185 196.1
[M]- 436.04295 196.1
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.