CID 81565

7146-67-0

Structural Information

Molecular Formula
C11H17NO4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO
InChI
InChI=1S/C11H17NO4S/c1-10-2-4-11(5-3-10)17(15,16)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
InChIKey
NHFJDXPINIIUQG-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

179
Patents

259.08783 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.095106 156.1
[M+Na]+ 282.077048 162.3
[M-H]- 258.080554 158.2
[M+NH4]+ 277.121653 172.3
[M+K]+ 298.050988 159.6
[M+H-H2O]+ 242.085090 149.8
[M+HCOO]- 304.086031 172.7
[M+CH3COO]- 318.101681 192.4
[M+Na-2H]- 280.062496 159.2
[M]+ 259.08728142 159.7
[M]- 259.08837858 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe