CID 6447121

71933-26-1

Structural Information

Molecular Formula
C16H21N3O2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=NC/C(=C\CN3CCCC3)/S2
InChI
InChI=1S/C16H21N3O2S2/c1-13-4-6-15(7-5-13)23(20,21)18-16-17-12-14(22-16)8-11-19-9-2-3-10-19/h4-8H,2-3,9-12H2,1H3,(H,17,18)/b14-8+
InChIKey
YJGYKHCWJQLHDG-RIYZIHGNSA-N
Compound name
4-methyl-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

351.1075 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11478 183.3
[M+Na]+ 374.09672 190.7
[M-H]- 350.10022 190.4
[M+NH4]+ 369.14132 198.0
[M+K]+ 390.07066 184.9
[M+H-H2O]+ 334.10476 176.5
[M+HCOO]- 396.10570 193.8
[M+CH3COO]- 410.12135 206.3
[M+Na-2H]- 372.08217 180.4
[M]+ 351.10695 183.1
[M]- 351.10805 183.1
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.