CID 3695295

5-amino-n-(2-methoxyphenyl)-2-(pyrrolidin-1-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C17H21N3O3S
SMILES
COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)N)N3CCCC3
InChI
InChI=1S/C17H21N3O3S/c1-23-16-7-3-2-6-14(16)19-24(21,22)17-12-13(18)8-9-15(17)20-10-4-5-11-20/h2-3,6-9,12,19H,4-5,10-11,18H2,1H3
InChIKey
PSBGOCIZSKXNGC-UHFFFAOYSA-N
Compound name
5-amino-N-(2-methoxyphenyl)-2-pyrrolidin-1-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
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

patents stripe