CID 3055043

71933-50-1

Structural Information

Molecular Formula
C15H20N4O2S2
SMILES
C1CCN(C1)CCC2=CN=C(S2)NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C15H20N4O2S2/c16-12-3-5-14(6-4-12)23(20,21)18-15-17-11-13(22-15)7-10-19-8-1-2-9-19/h3-6,11H,1-2,7-10,16H2,(H,17,18)
InChIKey
GYZFOSZOCPFUGU-UHFFFAOYSA-N
Compound name
4-amino-N-[5-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.10278 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.110056 179.0
[M+Na]+ 375.091998 186.3
[M-H]- 351.095504 185.9
[M+NH4]+ 370.136603 192.9
[M+K]+ 391.065938 180.5
[M+H-H2O]+ 335.100040 171.9
[M+HCOO]- 397.100981 191.3
[M+CH3COO]- 411.116631 209.5
[M+Na-2H]- 373.077446 178.0
[M]+ 352.10223142 179.0
[M]- 352.10332858 179.0
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.