CID 6388363

Akos002265756

Structural Information

Molecular Formula
C14H11N3O3S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC=CN3)/SC2=S
InChI
InChI=1S/C14H11N3O3S3/c18-13-12(9-10-5-4-8-15-10)22-14(21)17(13)16-23(19,20)11-6-2-1-3-7-11/h1-9,15-16H/b12-9+
InChIKey
GXBGHLJRXXIVDR-FMIVXFBMSA-N
Compound name
N-[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.99625 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.00353 185.1
[M+Na]+ 387.98547 195.0
[M-H]- 363.98897 190.8
[M+NH4]+ 383.03007 198.4
[M+K]+ 403.95941 186.1
[M+H-H2O]+ 347.99351 180.1
[M+HCOO]- 409.99445 191.1
[M+CH3COO]- 424.01010 194.1
[M+Na-2H]- 385.97092 183.0
[M]+ 364.99570 184.0
[M]- 364.99680 184.0
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.