CID 44120042

Sulphosuccinimidyl-4-[2-(4,4-dimethoxytrityl)]butyrate

Structural Information

Molecular Formula
C29H29NO10S
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCCCC(=O)ON4C(=O)CC(C4=O)S(=O)(=O)O
InChI
InChI=1S/C29H29NO10S/c1-37-23-14-10-21(11-15-23)29(20-7-4-3-5-8-20,22-12-16-24(38-2)17-13-22)39-18-6-9-27(32)40-30-26(31)19-25(28(30)33)41(34,35)36/h3-5,7-8,10-17,25H,6,9,18-19H2,1-2H3,(H,34,35,36)
InChIKey
LRHRYBWVKUOBTO-UHFFFAOYSA-N
Compound name
1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.15125 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.15853 234.0
[M+Na]+ 606.14047 236.7
[M-H]- 582.14397 243.6
[M+NH4]+ 601.18507 235.8
[M+K]+ 622.11441 235.0
[M+H-H2O]+ 566.14851 224.2
[M+HCOO]- 628.14945 244.4
[M+CH3COO]- 642.16510 247.7
[M+Na-2H]- 604.12592 233.4
[M]+ 583.15070 242.3
[M]- 583.15180 242.3
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.