CID 4962807

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

Structural Information

Molecular Formula
C13H20ClN3O3S
SMILES
C1COCCN1CCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)N
InChI
InChI=1S/C13H20ClN3O3S/c14-12-3-2-11(10-13(12)15)21(18,19)16-4-1-5-17-6-8-20-9-7-17/h2-3,10,16H,1,4-9,15H2
InChIKey
SLQVIBJBYCLUBB-UHFFFAOYSA-N
Compound name
3-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.0914 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.09868 173.9
[M+Na]+ 356.08062 179.4
[M-H]- 332.08412 178.6
[M+NH4]+ 351.12522 185.3
[M+K]+ 372.05456 174.9
[M+H-H2O]+ 316.08866 166.5
[M+HCOO]- 378.08960 183.3
[M+CH3COO]- 392.10525 207.1
[M+Na-2H]- 354.06607 176.8
[M]+ 333.09085 174.3
[M]- 333.09195 174.3
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.