CID 100658383

4-methyl-n-(1-oxo-1lambda6-thiomorpholin-1-ylidene)benzene-1-sulfonamide

Structural Information

Molecular Formula
C11H16N2O3S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=S2(=O)CCNCC2
InChI
InChI=1S/C11H16N2O3S2/c1-10-2-4-11(5-3-10)18(15,16)13-17(14)8-6-12-7-9-17/h2-5,12H,6-9H2,1H3
InChIKey
YVEPZVOOGBUACQ-UHFFFAOYSA-N
Compound name
4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.06024 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06752 161.0
[M+Na]+ 311.04946 167.9
[M-H]- 287.05296 165.2
[M+NH4]+ 306.09406 177.0
[M+K]+ 327.02340 162.6
[M+H-H2O]+ 271.05750 154.5
[M+HCOO]- 333.05844 170.8
[M+CH3COO]- 347.07409 193.5
[M+Na-2H]- 309.03491 165.5
[M]+ 288.05969 159.3
[M]- 288.06079 159.3
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.