CID 13537216

4-amino-n-[(1-ethylpyrrolidin-2-yl)methyl]benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H21N3O2S
SMILES
CCN1CCCC1CNS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H21N3O2S/c1-2-16-9-3-4-12(16)10-15-19(17,18)13-7-5-11(14)6-8-13/h5-8,12,15H,2-4,9-10,14H2,1H3
InChIKey
XWUHLWBFLJYXIV-UHFFFAOYSA-N
Compound name
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.13544 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.142716 164.5
[M+Na]+ 306.124658 170.5
[M-H]- 282.128164 169.2
[M+NH4]+ 301.169263 180.4
[M+K]+ 322.098598 166.3
[M+H-H2O]+ 266.132700 157.1
[M+HCOO]- 328.133641 181.3
[M+CH3COO]- 342.149291 200.5
[M+Na-2H]- 304.110106 165.4
[M]+ 283.13489142 163.3
[M]- 283.13598858 163.3
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

patents stripe