CID 5627701

N-(4-chloro-5-formyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene)benzenesulfonamide

Structural Information

Molecular Formula
C16H11ClN2O3S2
SMILES
C1=CC=C(C=C1)N\2C(=C(S/C2=N/S(=O)(=O)C3=CC=CC=C3)C=O)Cl
InChI
InChI=1S/C16H11ClN2O3S2/c17-15-14(11-20)23-16(19(15)12-7-3-1-4-8-12)18-24(21,22)13-9-5-2-6-10-13/h1-11H/b18-16+
InChIKey
WIDAJELADYEYIT-FBMGVBCBSA-N
Compound name
(NE)-N-(4-chloro-5-formyl-3-phenyl-1,3-thiazol-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.98996 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.99724 186.7
[M+Na]+ 400.97918 198.4
[M-H]- 376.98268 197.6
[M+NH4]+ 396.02378 201.2
[M+K]+ 416.95312 190.6
[M+H-H2O]+ 360.98722 179.7
[M+HCOO]- 422.98816 198.6
[M+CH3COO]- 437.00381 211.6
[M+Na-2H]- 398.96463 188.2
[M]+ 377.98941 193.5
[M]- 377.99051 193.5
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.