CID 3292313

328028-55-3

Structural Information

Molecular Formula
C17H21N3O4S
SMILES
COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)N
InChI
InChI=1S/C17H21N3O4S/c1-23-14-4-2-13(3-5-14)19-25(21,22)15-6-7-17(16(18)12-15)20-8-10-24-11-9-20/h2-7,12,19H,8-11,18H2,1H3
InChIKey
CJCRCJOYANWZJE-UHFFFAOYSA-N
Compound name
3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

363.12527 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13255 182.3
[M+Na]+ 386.11449 187.6
[M-H]- 362.11799 190.3
[M+NH4]+ 381.15909 191.2
[M+K]+ 402.08843 184.0
[M+H-H2O]+ 346.12253 172.8
[M+HCOO]- 408.12347 196.6
[M+CH3COO]- 422.13912 215.2
[M+Na-2H]- 384.09994 186.0
[M]+ 363.12472 181.4
[M]- 363.12582 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.