CID 120569

1784-16-3

Structural Information

Molecular Formula
C12H19N3O3S
SMILES
C1COCCN1CCNS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H19N3O3S/c13-11-1-3-12(4-2-11)19(16,17)14-5-6-15-7-9-18-10-8-15/h1-4,14H,5-10,13H2
InChIKey
VZARKMIVYCQLLB-UHFFFAOYSA-N
Compound name
4-amino-N-(2-morpholin-4-ylethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

285.11472 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12200 162.4
[M+Na]+ 308.10394 166.9
[M-H]- 284.10744 166.9
[M+NH4]+ 303.14854 174.5
[M+K]+ 324.07788 164.1
[M+H-H2O]+ 268.11198 154.2
[M+HCOO]- 330.11292 176.8
[M+CH3COO]- 344.12857 199.2
[M+Na-2H]- 306.08939 166.9
[M]+ 285.11417 160.0
[M]- 285.11527 160.0
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