CID 6366667

Brn 5648354

Structural Information

Molecular Formula
C23H23N3O2S2
SMILES
C1CCN(CC1)C(=O)C2=CC=C(C=C2)NCN3C(=O)/C(=C\C4=CC=CC=C4)/SC3=S
InChI
InChI=1S/C23H23N3O2S2/c27-21(25-13-5-2-6-14-25)18-9-11-19(12-10-18)24-16-26-22(28)20(30-23(26)29)15-17-7-3-1-4-8-17/h1,3-4,7-12,15,24H,2,5-6,13-14,16H2/b20-15+
InChIKey
RDXHMUSCWAXAOY-HMMYKYKNSA-N
Compound name
(5E)-5-benzylidene-3-[[4-(piperidine-1-carbonyl)anilino]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.12317 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.13045 202.7
[M+Na]+ 460.11239 207.4
[M-H]- 436.11589 211.1
[M+NH4]+ 455.15699 211.2
[M+K]+ 476.08633 198.7
[M+H-H2O]+ 420.12043 193.7
[M+HCOO]- 482.12137 209.3
[M+CH3COO]- 496.13702 209.4
[M+Na-2H]- 458.09784 197.3
[M]+ 437.12262 198.6
[M]- 437.12372 198.6
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.