CID 8180963

Schembl2986100

Structural Information

Molecular Formula
C22H21NO3
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C22H21NO3/c1-3-23(4-2)18-12-11-17-14-19(22(25)26-21(17)15-18)20(24)13-10-16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3/b13-10+
InChIKey
YCHOUXDNWWZEFY-JLHYYAGUSA-N
Compound name
7-(diethylamino)-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

347.15213 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.15941 182.7
[M+Na]+ 370.14135 197.7
[M+NH4]+ 365.18595 190.2
[M+K]+ 386.11529 189.4
[M-H]- 346.14485 189.3
[M+Na-2H]- 368.12680 190.5
[M]+ 347.15158 186.8
[M]- 347.15268 186.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe