CID 137349070

4-{5-[(1z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]-2-furyl}benzenesulfonamide

Structural Information

Molecular Formula
C15H13N3O4S2
SMILES
C/C(=C/1\C(=O)NC(=N)S1)/C2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C15H13N3O4S2/c1-8(13-14(19)18-15(16)23-13)11-6-7-12(22-11)9-2-4-10(5-3-9)24(17,20)21/h2-7H,1H3,(H2,16,18,19)(H2,17,20,21)/b13-8-
InChIKey
AKFVRSQELXTCFW-JYRVWZFOSA-N
Compound name
4-[5-[(1Z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]furan-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

363.03476 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.04204 184.0
[M+Na]+ 386.02398 192.1
[M-H]- 362.02748 192.1
[M+NH4]+ 381.06858 196.6
[M+K]+ 401.99792 186.4
[M+H-H2O]+ 346.03202 178.8
[M+HCOO]- 408.03296 194.8
[M+CH3COO]- 422.04861 209.9
[M+Na-2H]- 384.00943 181.7
[M]+ 363.03421 182.9
[M]- 363.03531 182.9
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