CID 3733261

3-amino-n,n-diethyl-4-[(2-hydroxyethyl)amino]benzene-1-sulfonamide

Structural Information

Molecular Formula
C12H21N3O3S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCO)N
InChI
InChI=1S/C12H21N3O3S/c1-3-15(4-2)19(17,18)10-5-6-12(11(13)9-10)14-7-8-16/h5-6,9,14,16H,3-4,7-8,13H2,1-2H3
InChIKey
QBNMUCDJSWNRKY-UHFFFAOYSA-N
Compound name
3-amino-N,N-diethyl-4-(2-hydroxyethylamino)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.13037 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13765 164.1
[M+Na]+ 310.11959 169.4
[M-H]- 286.12309 166.9
[M+NH4]+ 305.16419 179.0
[M+K]+ 326.09353 166.3
[M+H-H2O]+ 270.12763 156.6
[M+HCOO]- 332.12857 182.7
[M+CH3COO]- 346.14422 206.9
[M+Na-2H]- 308.10504 166.3
[M]+ 287.12982 166.1
[M]- 287.13092 166.1
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.