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]+ 274.110776 160.5
[M+Na]+ 296.092718 166.3
[M-H]- 272.096224 162.5
[M+NH4]+ 291.137323 176.1
[M+K]+ 312.066658 163.3
[M+H-H2O]+ 256.100760 154.0
[M+HCOO]- 318.101701 176.8
[M+CH3COO]- 332.117351 195.4
[M+Na-2H]- 294.078166 163.1
[M]+ 273.10295142 164.5
[M]- 273.10404858 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.