CID 6447118

71933-24-9

Structural Information

Molecular Formula
C16H21N3O3S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=NC/C(=C\CN3CCOCC3)/S2
InChI
InChI=1S/C16H21N3O3S2/c1-13-2-4-15(5-3-13)24(20,21)18-16-17-12-14(23-16)6-7-19-8-10-22-11-9-19/h2-6H,7-12H2,1H3,(H,17,18)/b14-6+
InChIKey
WTBYRVACFSXZNK-MKMNVTDBSA-N
Compound name
4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.10245 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.10973 183.9
[M+Na]+ 390.09167 189.9
[M-H]- 366.09517 190.6
[M+NH4]+ 385.13627 194.4
[M+K]+ 406.06561 184.9
[M+H-H2O]+ 350.09971 176.3
[M+HCOO]- 412.10065 191.6
[M+CH3COO]- 426.11630 208.9
[M+Na-2H]- 388.07712 183.6
[M]+ 367.10190 182.8
[M]- 367.10300 182.8
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.