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

4869
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 192.9
[M+Na]+ 459.03162 194.5
[M+NH4]+ 454.07622 191.5
[M+K]+ 475.00556 198.5
[M-H]- 435.03512 186.0
[M+Na-2H]- 457.01707 188.8
[M]+ 436.04185 190.3
[M]- 436.04295 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe