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
4
Annotation Hits

0
References

273
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 189.8
[M+Na]+ 407.03822 200.6
[M-H]- 383.04172 198.9
[M+NH4]+ 402.08282 208.8
[M+K]+ 423.01216 194.7
[M+H-H2O]+ 367.04626 186.0
[M+HCOO]- 429.04720 201.8
[M+CH3COO]- 443.06285 201.2
[M+Na-2H]- 405.02367 186.9
[M]+ 384.04845 197.7
[M]- 384.04955 197.7
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