CID 137349058

4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-furyl}-n-methylbenzenesulfonamide

Structural Information

Molecular Formula
C15H13N3O4S2
SMILES
CNS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=O)NC(=N)S3
InChI
InChI=1S/C15H13N3O4S2/c1-17-24(20,21)11-5-2-9(3-6-11)12-7-4-10(22-12)8-13-14(19)18-15(16)23-13/h2-8,17H,1H3,(H2,16,18,19)/b13-8-
InChIKey
FJJJERLTHDXEPT-JYRVWZFOSA-N
Compound name
4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

363.03476 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.04204 183.7
[M+Na]+ 386.02398 192.3
[M-H]- 362.02748 192.2
[M+NH4]+ 381.06858 196.7
[M+K]+ 401.99792 186.3
[M+H-H2O]+ 346.03202 178.3
[M+HCOO]- 408.03296 196.2
[M+CH3COO]- 422.04861 209.4
[M+Na-2H]- 384.00943 183.1
[M]+ 363.03421 184.1
[M]- 363.03531 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe