CID 6447129

71933-48-7

Structural Information

Molecular Formula
C15H20N4O2S2
SMILES
C1CCN(C1)C/C=C/2\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/h3-7H,1-2,8-11,16H2,(H,17,18)/b13-7+
InChIKey
QNFRFCIMEHQUBJ-NTUHNPAUSA-N
Compound name
4-amino-N-[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-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

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.110056 180.6
[M+Na]+ 375.091998 187.4
[M-H]- 351.095504 187.2
[M+NH4]+ 370.136603 194.6
[M+K]+ 391.065938 181.3
[M+H-H2O]+ 335.100040 173.7
[M+HCOO]- 397.100981 191.8
[M+CH3COO]- 411.116631 207.8
[M+Na-2H]- 373.077446 178.7
[M]+ 352.10223142 178.5
[M]- 352.10332858 178.5
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.