CID 4391

N1,n1-bis(2-hydroxyethyl)metanilamide

Structural Information

Molecular Formula
C10H16N2O4S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)N(CCO)CCO)N
InChI
InChI=1S/C10H16N2O4S/c11-9-2-1-3-10(8-9)17(15,16)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7,11H2
InChIKey
LHDUDYKYYNDASR-UHFFFAOYSA-N
Compound name
3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

260.08307 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09035 155.1
[M+Na]+ 283.07229 160.8
[M-H]- 259.07579 156.7
[M+NH4]+ 278.11689 170.5
[M+K]+ 299.04623 157.8
[M+H-H2O]+ 243.08033 148.4
[M+HCOO]- 305.08127 172.3
[M+CH3COO]- 319.09692 194.1
[M+Na-2H]- 281.05774 158.2
[M]+ 260.08252 156.5
[M]- 260.08362 156.5
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

patents stripe