CID 5678572

N-[4-chloro-5-formyl-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide

Structural Information

Molecular Formula
C11H9ClN2O3S3
SMILES
C=CCN\1C(=C(S/C1=N/S(=O)(=O)C2=CC=CS2)C=O)Cl
InChI
InChI=1S/C11H9ClN2O3S3/c1-2-5-14-10(12)8(7-15)19-11(14)13-20(16,17)9-4-3-6-18-9/h2-4,6-7H,1,5H2/b13-11+
InChIKey
COURAVQVMMYNRY-ACCUITESSA-N
Compound name
(NE)-N-(4-chloro-5-formyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.94638 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.95366 182.1
[M+Na]+ 370.93560 195.4
[M-H]- 346.93910 190.2
[M+NH4]+ 365.98020 199.9
[M+K]+ 386.90954 187.3
[M+H-H2O]+ 330.94364 177.6
[M+HCOO]- 392.94458 190.3
[M+CH3COO]- 406.96023 205.1
[M+Na-2H]- 368.92105 180.5
[M]+ 347.94583 190.1
[M]- 347.94693 190.1
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.