CID 3020313

Dtxsid901109517

Structural Information

Molecular Formula
C23H26N2OS3
SMILES
CCN1C2=CC=CC=C2SC1=CC=CC(=C3C(=O)N(C(=S)S3)C4CCCCC4)C
InChI
InChI=1S/C23H26N2OS3/c1-3-24-18-13-7-8-14-19(18)28-20(24)15-9-10-16(2)21-22(26)25(23(27)29-21)17-11-5-4-6-12-17/h7-10,13-15,17H,3-6,11-12H2,1-2H3
InChIKey
PSKSUZATVUPWJN-UHFFFAOYSA-N
Compound name
3-cyclohexyl-5-[5-(3-ethyl-1,3-benzothiazol-2-ylidene)pent-3-en-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.12073 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.12801 205.9
[M+Na]+ 465.10995 212.6
[M-H]- 441.11345 211.6
[M+NH4]+ 460.15455 218.6
[M+K]+ 481.08389 203.2
[M+H-H2O]+ 425.11799 201.1
[M+HCOO]- 487.11893 204.5
[M+CH3COO]- 501.13458 212.3
[M+Na-2H]- 463.09540 196.0
[M]+ 442.12018 202.6
[M]- 442.12128 202.6
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.