CID 43624420

1,3-diethyl 2-(propane-1-sulfonamido)propanedioate

Structural Information

Molecular Formula
C10H19NO6S
SMILES
CCCS(=O)(=O)NC(C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C10H19NO6S/c1-4-7-18(14,15)11-8(9(12)16-5-2)10(13)17-6-3/h8,11H,4-7H2,1-3H3
InChIKey
KQEABMSGWGDBOS-UHFFFAOYSA-N
Compound name
diethyl 2-(propylsulfonylamino)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.09332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10060 161.5
[M+Na]+ 304.08254 166.0
[M-H]- 280.08604 161.2
[M+NH4]+ 299.12714 177.1
[M+K]+ 320.05648 165.9
[M+H-H2O]+ 264.09058 155.4
[M+HCOO]- 326.09152 177.0
[M+CH3COO]- 340.10717 198.1
[M+Na-2H]- 302.06799 161.7
[M]+ 281.09277 168.7
[M]- 281.09387 168.7
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

No patent data available for this compound.