CID 3848950

327088-47-1

Structural Information

Molecular Formula
C14H23N3O2S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)N
InChI
InChI=1S/C14H23N3O2S/c1-3-17(4-2)20(18,19)12-7-8-14(13(15)11-12)16-9-5-6-10-16/h7-8,11H,3-6,9-10,15H2,1-2H3
InChIKey
QZQFAHSSGXNUQF-UHFFFAOYSA-N
Compound name
3-amino-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1511 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.158376 169.2
[M+Na]+ 320.140318 174.9
[M-H]- 296.143824 175.3
[M+NH4]+ 315.184923 185.3
[M+K]+ 336.114258 171.9
[M+H-H2O]+ 280.148360 161.6
[M+HCOO]- 342.149301 186.2
[M+CH3COO]- 356.164951 206.8
[M+Na-2H]- 318.125766 169.1
[M]+ 297.15055142 169.7
[M]- 297.15164858 169.7
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

No patent data available for this compound.