CID 4962821

4-amino-n-[3-(morpholin-4-yl)propyl]benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H21N3O3S
SMILES
C1COCCN1CCCNS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H21N3O3S/c14-12-2-4-13(5-3-12)20(17,18)15-6-1-7-16-8-10-19-11-9-16/h2-5,15H,1,6-11,14H2
InChIKey
RSIYXJOWRJIOEC-UHFFFAOYSA-N
Compound name
4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

299.13037 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13765 166.6
[M+Na]+ 322.11959 170.7
[M-H]- 298.12309 170.9
[M+NH4]+ 317.16419 178.2
[M+K]+ 338.09353 167.7
[M+H-H2O]+ 282.12763 158.2
[M+HCOO]- 344.12857 180.7
[M+CH3COO]- 358.14422 202.2
[M+Na-2H]- 320.10504 170.7
[M]+ 299.12982 164.6
[M]- 299.13092 164.6
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