CID 136711420

4-methyl-n-{(5e)-5-[(5-methyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide

Structural Information

Molecular Formula
C16H14N2O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=C2NC(=O)/C(=C/C3=CC=C(O3)C)/S2
InChI
InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9-
InChIKey
MXAPQGDBWFYKKX-ZROIWOOFSA-N
Compound name
4-methyl-N-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0395 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.04678 185.4
[M+Na]+ 385.02872 195.4
[M-H]- 361.03222 195.6
[M+NH4]+ 380.07332 199.9
[M+K]+ 401.00266 190.2
[M+H-H2O]+ 345.03676 180.3
[M+HCOO]- 407.03770 198.4
[M+CH3COO]- 421.05335 208.6
[M+Na-2H]- 383.01417 183.5
[M]+ 362.03895 188.6
[M]- 362.04005 188.6
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.