CID 73556062

65292-51-5

Structural Information

Molecular Formula
C23H28O2S2
SMILES
CC(C)(C1=CC(=S2CCCC2)C(=O)C=C1)C3=CC(=S4CCCC4)C(=O)C=C3
InChI
InChI=1S/C23H28O2S2/c1-23(2,17-7-9-19(24)21(15-17)26-11-3-4-12-26)18-8-10-20(25)22(16-18)27-13-5-6-14-27/h7-10,15-16H,3-6,11-14H2,1-2H3
InChIKey
YQMJDBSCCPGEGY-UHFFFAOYSA-N
Compound name
4-[2-[4-oxo-3-(thiolan-1-ylidene)cyclohexa-1,5-dien-1-yl]propan-2-yl]-6-(thiolan-1-ylidene)cyclohexa-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

400.15308 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16036 200.4
[M+Na]+ 423.14230 206.0
[M-H]- 399.14580 212.0
[M+NH4]+ 418.18690 215.9
[M+K]+ 439.11624 198.9
[M+H-H2O]+ 383.15034 195.0
[M+HCOO]- 445.15128 207.7
[M+CH3COO]- 459.16693 209.0
[M+Na-2H]- 421.12775 192.3
[M]+ 400.15253 196.3
[M]- 400.15363 196.3
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.