CID 135570646

139298-34-3

Structural Information

Molecular Formula
C20H17N3O4S2
SMILES
C/C(=N/NC(=O)COC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)S2)/C3=CC=CC=C3O
InChI
InChI=1S/C20H17N3O4S2/c1-12(15-4-2-3-5-16(15)24)22-23-18(25)11-27-14-8-6-13(7-9-14)10-17-19(26)21-20(28)29-17/h2-10,24H,11H2,1H3,(H,23,25)(H,21,26,28)/b17-10+,22-12-
InChIKey
GNYXYNAZOJEPTE-SSXIFJMBSA-N
Compound name
N-[(Z)-1-(2-hydroxyphenyl)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

427.06604 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.07332 198.3
[M+Na]+ 450.05526 203.3
[M-H]- 426.05876 204.5
[M+NH4]+ 445.09986 207.5
[M+K]+ 466.02920 195.4
[M+H-H2O]+ 410.06330 190.4
[M+HCOO]- 472.06424 208.3
[M+CH3COO]- 486.07989 223.7
[M+Na-2H]- 448.04071 194.9
[M]+ 427.06549 197.9
[M]- 427.06659 197.9
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.