CID 3674642

3-amino-n-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C17H21N3O3S
SMILES
COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)N
InChI
InChI=1S/C17H21N3O3S/c1-23-14-6-4-13(5-7-14)19-24(21,22)15-8-9-17(16(18)12-15)20-10-2-3-11-20/h4-9,12,19H,2-3,10-11,18H2,1H3
InChIKey
QKDMCYVRFMPKIW-UHFFFAOYSA-N
Compound name
3-amino-N-(4-methoxyphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

347.13037 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13765 179.1
[M+Na]+ 370.11959 185.5
[M-H]- 346.12309 187.3
[M+NH4]+ 365.16419 192.2
[M+K]+ 386.09353 180.5
[M+H-H2O]+ 330.12763 170.8
[M+HCOO]- 392.12857 196.4
[M+CH3COO]- 406.14422 211.9
[M+Na-2H]- 368.10504 180.4
[M]+ 347.12982 178.8
[M]- 347.13092 178.8
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.