CID 3068770

6-benzil-2-(dimetilammino)cromone [italian]

Structural Information

Molecular Formula
C18H17NO2
SMILES
CN(C)C1=CC(=O)C2=C(O1)C=CC(=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H17NO2/c1-19(2)18-12-16(20)15-11-14(8-9-17(15)21-18)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3
InChIKey
BMRRVTAUPJKTBT-UHFFFAOYSA-N
Compound name
6-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]+ 280.133196 164.1
[M+Na]+ 302.115138 172.7
[M-H]- 278.118644 174.1
[M+NH4]+ 297.159743 180.2
[M+K]+ 318.089078 170.2
[M+H-H2O]+ 262.123180 155.5
[M+HCOO]- 324.124121 188.0
[M+CH3COO]- 338.139771 177.1
[M+Na-2H]- 300.100586 171.2
[M]+ 279.12537142 167.6
[M]- 279.12646858 167.6
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.