CID 18626

3263-31-8

Structural Information

Molecular Formula
C20H16O4S2
SMILES
CCOC1=CC2=C(C=C1)C(=O)C(=C3C(=O)C4=C(S3)C=C(C=C4)OCC)S2
InChI
InChI=1S/C20H16O4S2/c1-3-23-11-5-7-13-15(9-11)25-19(17(13)21)20-18(22)14-8-6-12(24-4-2)10-16(14)26-20/h5-10H,3-4H2,1-2H3
InChIKey
VMXWZRNWXZSSCE-UHFFFAOYSA-N
Compound name
6-ethoxy-2-(6-ethoxy-3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

270
Patents

384.049 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.05628 188.0
[M+Na]+ 407.03822 199.7
[M+NH4]+ 402.08282 196.8
[M+K]+ 423.01216 191.6
[M-H]- 383.04172 191.8
[M+Na-2H]- 405.02367 190.9
[M]+ 384.04845 191.7
[M]- 384.04955 191.7
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

patents stripe