CID 6477432

Nsc660021

Structural Information

Molecular Formula
C17H15N3O4S2
SMILES
CC(=O)/C(=C/N1C(=O)/C(=C/C2=CC=C(C=C2)NC(=O)C)/SC1=S)/C(=O)N
InChI
InChI=1S/C17H15N3O4S2/c1-9(21)13(15(18)23)8-20-16(24)14(26-17(20)25)7-11-3-5-12(6-4-11)19-10(2)22/h3-8H,1-2H3,(H2,18,23)(H,19,22)/b13-8-,14-7-
InChIKey
SVXOWNKRFGFITF-LUGOROIYSA-N
Compound name
(2Z)-2-[[(5Z)-5-[(4-acetamidophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methylidene]-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.05038 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.05766 190.4
[M+Na]+ 412.03960 195.2
[M-H]- 388.04310 194.4
[M+NH4]+ 407.08420 201.5
[M+K]+ 428.01354 188.7
[M+H-H2O]+ 372.04764 183.4
[M+HCOO]- 434.04858 198.5
[M+CH3COO]- 448.06423 220.9
[M+Na-2H]- 410.02505 183.1
[M]+ 389.04983 189.5
[M]- 389.05093 189.5
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.