CID 5825865

308101-50-0

Structural Information

Molecular Formula
C23H16N2O3S
SMILES
CCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O
InChI
InChI=1S/C23H16N2O3S/c1-2-27-18-9-7-15(8-10-18)11-17(13-24)22-25-20(14-29-22)19-12-16-5-3-4-6-21(16)28-23(19)26/h3-12,14H,2H2,1H3/b17-11+
InChIKey
FQFJOQKXXRNEEW-GZTJUZNOSA-N
Compound name
(E)-3-(4-ethoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.08817 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.09545 191.2
[M+Na]+ 423.07739 207.1
[M+NH4]+ 418.12199 195.6
[M+K]+ 439.05133 195.2
[M-H]- 399.08089 190.7
[M+Na-2H]- 421.06284 197.2
[M]+ 400.08762 193.2
[M]- 400.08872 193.2
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.