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 191.6
[M+Na]+ 420.04470 197.7
[M-H]- 396.04820 199.2
[M+NH4]+ 415.08930 202.9
[M+K]+ 436.01864 189.4
[M+H-H2O]+ 380.05274 183.3
[M+HCOO]- 442.05368 204.4
[M+CH3COO]- 456.06933 218.6
[M+Na-2H]- 418.03015 189.9
[M]+ 397.05493 191.5
[M]- 397.05603 191.5
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.