CID 3068772

8-benzyl-2-(dimethylamino)chromone

Structural Information

Molecular Formula
C18H17NO2
SMILES
CN(C)C1=CC(=O)C2=CC=CC(=C2O1)CC3=CC=CC=C3
InChI
InChI=1S/C18H17NO2/c1-19(2)17-12-16(20)15-10-6-9-14(18(15)21-17)11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3
InChIKey
PWTUCSDVDVMSQH-UHFFFAOYSA-N
Compound name
8-benzyl-2-(dimethylamino)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 163.5
[M+Na]+ 302.11514 180.3
[M+NH4]+ 297.15974 173.1
[M+K]+ 318.08908 171.6
[M-H]- 278.11864 171.6
[M+Na-2H]- 300.10059 173.5
[M]+ 279.12537 168.5
[M]- 279.12647 168.5
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.