CID 5678031

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

Structural Information

Molecular Formula
C13H12Cl2N2O3S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)/N=C/2\N(C(=C(S2)C=O)Cl)CCCCl
InChI
InChI=1S/C13H12Cl2N2O3S2/c14-7-4-8-17-12(15)11(9-18)21-13(17)16-22(19,20)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2/b16-13+
InChIKey
LLKYUKDABCWPOE-DTQAZKPQSA-N
Compound name
(NE)-N-[4-chloro-3-(3-chloropropyl)-5-formyl-1,3-thiazol-2-ylidene]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.96664 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.97392 183.6
[M+Na]+ 400.95586 194.8
[M-H]- 376.95936 190.9
[M+NH4]+ 396.00046 198.9
[M+K]+ 416.92980 187.1
[M+H-H2O]+ 360.96390 178.2
[M+HCOO]- 422.96484 189.7
[M+CH3COO]- 436.98049 210.9
[M+Na-2H]- 398.94131 183.2
[M]+ 377.96609 192.3
[M]- 377.96719 192.3
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.