CID 3055030

71933-37-4

Structural Information

Molecular Formula
C15H18ClN3O2S2
SMILES
C1CCN(C1)CCC2=CN=C(S2)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H18ClN3O2S2/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,1-2,7-10H2,(H,17,18)
InChIKey
DQRDIAUPNKSTJM-UHFFFAOYSA-N
Compound name
4-chloro-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

371.0529 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.06018 185.5
[M+Na]+ 394.04212 194.3
[M-H]- 370.04562 193.2
[M+NH4]+ 389.08672 200.2
[M+K]+ 410.01606 187.9
[M+H-H2O]+ 354.05016 179.1
[M+HCOO]- 416.05110 192.9
[M+CH3COO]- 430.06675 195.5
[M+Na-2H]- 392.02757 183.4
[M]+ 371.05235 188.9
[M]- 371.05345 188.9
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.