CID 6448846

6-(1-oxo-3-(2-thienyl)-2-propenyl)-2-(2-thienyl)-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C20H12O3S2
SMILES
C1=CSC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CS4
InChI
InChI=1S/C20H12O3S2/c21-16(7-6-14-3-1-9-24-14)13-5-8-18-15(11-13)17(22)12-19(23-18)20-4-2-10-25-20/h1-12H/b7-6+
InChIKey
SDEOGJDJVXOFES-VOTSOKGWSA-N
Compound name
2-thiophen-2-yl-6-[(E)-3-thiophen-2-ylprop-2-enoyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.0228 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.03008 186.0
[M+Na]+ 387.01202 198.5
[M-H]- 363.01552 199.2
[M+NH4]+ 382.05662 203.3
[M+K]+ 402.98596 192.8
[M+H-H2O]+ 347.02006 181.5
[M+HCOO]- 409.02100 202.4
[M+CH3COO]- 423.03665 198.9
[M+Na-2H]- 384.99747 185.2
[M]+ 364.02225 193.8
[M]- 364.02335 193.8
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.