CID 210700

21508-39-4

Structural Information

Molecular Formula
C24H28N2O2S4
SMILES
C1C(N(C(=S)S1)CCCCCCN2C(=S)SCC2(C3=CC=CC=C3)O)(C4=CC=CC=C4)O
InChI
InChI=1S/C24H28N2O2S4/c27-23(19-11-5-3-6-12-19)17-31-21(29)25(23)15-9-1-2-10-16-26-22(30)32-18-24(26,28)20-13-7-4-8-14-20/h3-8,11-14,27-28H,1-2,9-10,15-18H2
InChIKey
PVMOYHCXMGNKOD-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[6-(4-hydroxy-4-phenyl-2-sulfanylidene-1,3-thiazolidin-3-yl)hexyl]-4-phenyl-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.10336 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.11064 207.2
[M+Na]+ 527.09258 214.4
[M-H]- 503.09608 211.0
[M+NH4]+ 522.13718 218.1
[M+K]+ 543.06652 203.7
[M+H-H2O]+ 487.10062 203.6
[M+HCOO]- 549.10156 203.1
[M+CH3COO]- 563.11721 212.4
[M+Na-2H]- 525.07803 205.0
[M]+ 504.10281 205.1
[M]- 504.10391 205.1
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.