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

25
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 165.9
[M+Na]+ 325.08285 170.4
[M-H]- 301.08635 167.6
[M+NH4]+ 320.12745 179.5
[M+K]+ 341.05679 168.0
[M+H-H2O]+ 285.09089 158.7
[M+HCOO]- 347.09183 182.4
[M+CH3COO]- 361.10748 202.3
[M+Na-2H]- 323.06830 168.3
[M]+ 302.09308 168.9
[M]- 302.09418 168.9
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