CID 6447127

71933-34-1

Structural Information

Molecular Formula
C17H22N4O3S2
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC/C(=C\CN3CCCC3)/S2
InChI
InChI=1S/C17H22N4O3S2/c1-13(22)19-14-4-6-16(7-5-14)26(23,24)20-17-18-12-15(25-17)8-11-21-9-2-3-10-21/h4-8H,2-3,9-12H2,1H3,(H,18,20)(H,19,22)/b15-8+
InChIKey
CRCFLBKVITVVTN-OVCLIPMQSA-N
Compound name
N-[4-[[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.11334 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.12062 188.6
[M+Na]+ 417.10256 194.5
[M+NH4]+ 412.14716 193.7
[M+K]+ 433.07650 190.1
[M-H]- 393.10606 190.8
[M+Na-2H]- 415.08801 192.4
[M]+ 394.11279 190.4
[M]- 394.11389 190.4
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.