CID 3449167

Sulfo-egs crosslinker

Structural Information

Molecular Formula
C18H20N2O18S2
SMILES
C1C(C(=O)N(C1=O)OC(=O)CCC(=O)OCCOC(=O)CCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C18H20N2O18S2/c21-11-7-9(39(29,30)31)17(27)19(11)37-15(25)3-1-13(23)35-5-6-36-14(24)2-4-16(26)38-20-12(22)8-10(18(20)28)40(32,33)34/h9-10H,1-8H2,(H,29,30,31)(H,32,33,34)
InChIKey
YDFAYDGRSWSLCT-UHFFFAOYSA-N
Compound name
1-[4-[2-[4-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxyethoxy]-4-oxobutanoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2964
Patents

616.01526 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.02254 215.7
[M+Na]+ 639.00448 221.0
[M+NH4]+ 634.04908 238.2
[M+K]+ 654.97842 219.3
[M-H]- 615.00798 238.4
[M+Na-2H]- 636.98993 231.9
[M]+ 616.01471 215.7
[M]- 616.01581 215.7
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

patents stripe