CID 13684965

93629-90-4

Structural Information

Molecular Formula
C11H18N2O6S2
SMILES
C=CS(=O)(=O)CC(=O)NCCCNC(=O)CS(=O)(=O)C=C
InChI
InChI=1S/C11H18N2O6S2/c1-3-20(16,17)8-10(14)12-6-5-7-13-11(15)9-21(18,19)4-2/h3-4H,1-2,5-9H2,(H,12,14)(H,13,15)
InChIKey
BQRSKHITKXPIQX-UHFFFAOYSA-N
Compound name
2-ethenylsulfonyl-N-[3-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

358
Patents

338.06064 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.06792 174.7
[M+Na]+ 361.04986 178.2
[M-H]- 337.05336 173.0
[M+NH4]+ 356.09446 186.8
[M+K]+ 377.02380 173.1
[M+H-H2O]+ 321.05790 167.7
[M+HCOO]- 383.05884 184.7
[M+CH3COO]- 397.07449 206.7
[M+Na-2H]- 359.03531 175.8
[M]+ 338.06009 178.6
[M]- 338.06119 178.6
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