CID 10274690

Sulphosuccinimidyl 4-(4-maleimidophenyl)butyrate

Structural Information

Molecular Formula
C18H16N2O9S
SMILES
C1C(C(=O)N(C1=O)OC(=O)CCCC2=CC=C(C=C2)N3C(=O)C=CC3=O)S(=O)(=O)O
InChI
InChI=1S/C18H16N2O9S/c21-14-8-9-15(22)19(14)12-6-4-11(5-7-12)2-1-3-17(24)29-20-16(23)10-13(18(20)25)30(26,27)28/h4-9,13H,1-3,10H2,(H,26,27,28)
InChIKey
VHYRLCJMMJQUBY-UHFFFAOYSA-N
Compound name
1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4810
Patents

436.05765 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.06493 195.3
[M+Na]+ 459.04687 202.6
[M-H]- 435.05037 202.4
[M+NH4]+ 454.09147 204.9
[M+K]+ 475.02081 200.0
[M+H-H2O]+ 419.05491 189.3
[M+HCOO]- 481.05585 208.2
[M+CH3COO]- 495.07150 220.0
[M+Na-2H]- 457.03232 191.3
[M]+ 436.05710 201.4
[M]- 436.05820 201.4
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