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]+ 353.11006 179.0
[M+Na]+ 375.09200 186.3
[M-H]- 351.09550 185.9
[M+NH4]+ 370.13660 192.9
[M+K]+ 391.06594 180.5
[M+H-H2O]+ 335.10004 171.9
[M+HCOO]- 397.10098 191.3
[M+CH3COO]- 411.11663 209.5
[M+Na-2H]- 373.07745 178.0
[M]+ 352.10223 179.0
[M]- 352.10333 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.