CID 3067695

Brn 5127034

Structural Information

Molecular Formula
C13H20N2O6S
SMILES
CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO
InChI
InChI=1S/C13H20N2O6S/c1-2-21-13(18)14-11-3-5-12(6-4-11)22(19,20)15(7-9-16)8-10-17/h3-6,16-17H,2,7-10H2,1H3,(H,14,18)
InChIKey
WBPHOQRNQWATTA-UHFFFAOYSA-N
Compound name
ethyl N-[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.10422 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11150 172.9
[M+Na]+ 355.09344 176.7
[M-H]- 331.09694 174.4
[M+NH4]+ 350.13804 185.3
[M+K]+ 371.06738 174.8
[M+H-H2O]+ 315.10148 165.3
[M+HCOO]- 377.10242 189.3
[M+CH3COO]- 391.11807 206.9
[M+Na-2H]- 353.07889 175.2
[M]+ 332.10367 177.6
[M]- 332.10477 177.6
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

No patent data available for this compound.