CID 2049566

328038-28-4

Structural Information

Molecular Formula
C13H19NO6S
SMILES
COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C13H19NO6S/c1-19-9-7-14(8-10-20-2)21(17,18)12-5-3-11(4-6-12)13(15)16/h3-6H,7-10H2,1-2H3,(H,15,16)
InChIKey
FUBAFUGQTVAQJR-UHFFFAOYSA-N
Compound name
4-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.09332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10060 169.3
[M+Na]+ 340.08254 174.6
[M-H]- 316.08604 172.5
[M+NH4]+ 335.12714 183.4
[M+K]+ 356.05648 173.5
[M+H-H2O]+ 300.09058 162.1
[M+HCOO]- 362.09152 186.4
[M+CH3COO]- 376.10717 205.2
[M+Na-2H]- 338.06799 171.4
[M]+ 317.09277 177.0
[M]- 317.09387 177.0
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.