CID 81421

N-(2-hydroxyethyl)-n-(3-hydroxypropyl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C12H19NO4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CCCO)CCO
InChI
InChI=1S/C12H19NO4S/c1-11-3-5-12(6-4-11)18(16,17)13(8-10-15)7-2-9-14/h3-6,14-15H,2,7-10H2,1H3
InChIKey
RUCCTVXPDZVRIG-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1035 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11078 160.5
[M+Na]+ 296.09272 166.3
[M-H]- 272.09622 162.5
[M+NH4]+ 291.13732 176.1
[M+K]+ 312.06666 163.3
[M+H-H2O]+ 256.10076 154.0
[M+HCOO]- 318.10170 176.8
[M+CH3COO]- 332.11735 195.4
[M+Na-2H]- 294.07817 163.1
[M]+ 273.10295 164.5
[M]- 273.10405 164.5
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.