CID 164512788

2699028-49-2

Structural Information

Molecular Formula
C15H19N3O8S2
SMILES
CS(=O)(=O)C1=CC(=C(C=C1N)S(=O)(=O)C)NCCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C15H19N3O8S2/c1-27(22,23)11-8-10(12(7-9(11)16)28(2,24)25)17-6-5-15(21)26-18-13(19)3-4-14(18)20/h7-8,17H,3-6,16H2,1-2H3
InChIKey
XYQXSDYEQQGHHT-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-[4-amino-2,5-bis(methylsulfonyl)anilino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.06137 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.06865 197.2
[M+Na]+ 456.05059 201.1
[M+NH4]+ 451.09519 198.3
[M+K]+ 472.02453 199.3
[M-H]- 432.05409 194.5
[M+Na-2H]- 454.03604 196.9
[M]+ 433.06082 197.1
[M]- 433.06192 197.1
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.