CID 9588730

139298-37-6

Structural Information

Molecular Formula
C21H19N3O4S2
SMILES
C/C(=N/NC(=O)COC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)S2)/C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H19N3O4S2/c1-13(15-5-9-16(27-2)10-6-15)23-24-19(25)12-28-17-7-3-14(4-8-17)11-18-20(26)22-21(29)30-18/h3-11H,12H2,1-2H3,(H,24,25)(H,22,26,29)/b18-11+,23-13-
InChIKey
GXWPKSLBMHZUAE-NLKXEGOWSA-N
Compound name
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.0817 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.08898 200.3
[M+Na]+ 464.07092 208.6
[M+NH4]+ 459.11552 205.2
[M+K]+ 480.04486 201.1
[M-H]- 440.07442 204.0
[M+Na-2H]- 462.05637 205.1
[M]+ 441.08115 203.0
[M]- 441.08225 203.0
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.