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]+ 353.11006 180.6
[M+Na]+ 375.09200 187.4
[M-H]- 351.09550 187.2
[M+NH4]+ 370.13660 194.6
[M+K]+ 391.06594 181.3
[M+H-H2O]+ 335.10004 173.7
[M+HCOO]- 397.10098 191.8
[M+CH3COO]- 411.11663 207.8
[M+Na-2H]- 373.07745 178.7
[M]+ 352.10223 178.5
[M]- 352.10333 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.