CID 97561

17262-65-6

Structural Information

Molecular Formula
C12H18N2O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO
InChI
InChI=1S/C12H18N2O5S/c1-10(17)13-11-2-4-12(5-3-11)20(18,19)14(6-8-15)7-9-16/h2-5,15-16H,6-9H2,1H3,(H,13,17)
InChIKey
KCCQFZBYCFYLGD-UHFFFAOYSA-N
Compound name
N-[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

302.09363 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10091 166.8
[M+Na]+ 325.08285 173.2
[M+NH4]+ 320.12745 171.1
[M+K]+ 341.05679 169.1
[M-H]- 301.08635 165.7
[M+Na-2H]- 323.06830 169.3
[M]+ 302.09308 167.3
[M]- 302.09418 167.3
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

patents stripe