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]+ 284.14272 164.5
[M+Na]+ 306.12466 170.5
[M-H]- 282.12816 169.2
[M+NH4]+ 301.16926 180.4
[M+K]+ 322.09860 166.3
[M+H-H2O]+ 266.13270 157.1
[M+HCOO]- 328.13364 181.3
[M+CH3COO]- 342.14929 200.5
[M+Na-2H]- 304.11011 165.4
[M]+ 283.13489 163.3
[M]- 283.13599 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