CID 9588725

139298-28-5

Structural Information

Molecular Formula
C19H15N3O3S2
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)COC2=CC=C(C=C2)/C=C/3\C(=O)NC(=S)S3
InChI
InChI=1S/C19H15N3O3S2/c23-17(22-20-11-14-4-2-1-3-5-14)12-25-15-8-6-13(7-9-15)10-16-18(24)21-19(26)27-16/h1-11H,12H2,(H,22,23)(H,21,24,26)/b16-10+,20-11+
InChIKey
ORTPXXORIIUWSG-KHGLHOOQSA-N
Compound name
N-[(E)-benzylideneamino]-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

397.05548 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.06276 189.1
[M+Na]+ 420.04470 198.4
[M+NH4]+ 415.08930 195.1
[M+K]+ 436.01864 189.7
[M-H]- 396.04820 193.5
[M+Na-2H]- 418.03015 195.1
[M]+ 397.05493 192.2
[M]- 397.05603 192.2
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.