CID 135570644

139298-29-6

Structural Information

Molecular Formula
C19H15N3O4S2
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)/C=C/3\C(=O)NC(=S)S3)O
InChI
InChI=1S/C19H15N3O4S2/c23-15-4-2-1-3-13(15)10-20-22-17(24)11-26-14-7-5-12(6-8-14)9-16-18(25)21-19(27)28-16/h1-10,23H,11H2,(H,22,24)(H,21,25,27)/b16-9+,20-10+
InChIKey
XMKRDXVCEINZKQ-GCCSSPINSA-N
Compound name
N-[(E)-(2-hydroxyphenyl)methylideneamino]-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

413.05038 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.05766 194.0
[M+Na]+ 436.03960 199.9
[M-H]- 412.04310 200.4
[M+NH4]+ 431.08420 204.0
[M+K]+ 452.01354 191.5
[M+H-H2O]+ 396.04764 186.1
[M+HCOO]- 458.04858 205.4
[M+CH3COO]- 472.06423 220.0
[M+Na-2H]- 434.02505 191.9
[M]+ 413.04983 193.8
[M]- 413.05093 193.8
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.