CID 13628647

100983-91-3

Structural Information

Molecular Formula
C10H16N2O4S
SMILES
C1=CC(=C(C=C1N)S(=O)(=O)CCO)NCCO
InChI
InChI=1S/C10H16N2O4S/c11-8-1-2-9(12-3-4-13)10(7-8)17(15,16)6-5-14/h1-2,7,12-14H,3-6,11H2
InChIKey
TZXNFIROZWDBSY-UHFFFAOYSA-N
Compound name
2-[4-amino-2-(2-hydroxyethylsulfonyl)anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

260.08307 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09035 154.7
[M+Na]+ 283.07229 161.1
[M-H]- 259.07579 155.1
[M+NH4]+ 278.11689 169.7
[M+K]+ 299.04623 156.7
[M+H-H2O]+ 243.08033 148.4
[M+HCOO]- 305.08127 171.4
[M+CH3COO]- 319.09692 192.2
[M+Na-2H]- 281.05774 157.8
[M]+ 260.08252 155.2
[M]- 260.08362 155.2
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