CID 3073447

2h-1-benzopyran-2-one, 8-(2-(dimethylamino)ethoxy)-7-methoxy-4-methyl-

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2OCCN(C)C)OC
InChI
InChI=1S/C15H19NO4/c1-10-9-13(17)20-14-11(10)5-6-12(18-4)15(14)19-8-7-16(2)3/h5-6,9H,7-8H2,1-4H3
InChIKey
REWNFDMMQVWYBV-UHFFFAOYSA-N
Compound name
8-[2-(dimethylamino)ethoxy]-7-methoxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.138676 161.7
[M+Na]+ 300.120618 170.9
[M-H]- 276.124124 168.9
[M+NH4]+ 295.165223 178.6
[M+K]+ 316.094558 171.0
[M+H-H2O]+ 260.128660 154.3
[M+HCOO]- 322.129601 185.7
[M+CH3COO]- 336.145251 207.5
[M+Na-2H]- 298.106066 167.6
[M]+ 277.13085142 170.3
[M]- 277.13194858 170.3
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.