CID 71440054

4h-1-benzopyran-4-one, 2-[[4-(diethylamino)-2-methylphenyl]methylene]-2,3-dihydro-

Structural Information

Molecular Formula
C21H23NO2
SMILES
CCN(CC)C1=CC(=C(C=C1)C=C2CC(=O)C3=CC=CC=C3O2)C
InChI
InChI=1S/C21H23NO2/c1-4-22(5-2)17-11-10-16(15(3)12-17)13-18-14-20(23)19-8-6-7-9-21(19)24-18/h6-13H,4-5,14H2,1-3H3
InChIKey
YSVUISQPGOOHOC-UHFFFAOYSA-N
Compound name
2-[[4-(diethylamino)-2-methylphenyl]methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.180156 178.6
[M+Na]+ 344.162098 185.1
[M-H]- 320.165604 187.7
[M+NH4]+ 339.206703 193.1
[M+K]+ 360.136038 181.7
[M+H-H2O]+ 304.170140 169.7
[M+HCOO]- 366.171081 198.8
[M+CH3COO]- 380.186731 216.2
[M+Na-2H]- 342.147546 181.5
[M]+ 321.17233142 179.9
[M]- 321.17342858 179.9
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.