CID 780178

7-methoxy-2-methyl-3-phenoxy-4h-chromen-4-one

Structural Information

Molecular Formula
C17H14O4
SMILES
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC)OC3=CC=CC=C3
InChI
InChI=1S/C17H14O4/c1-11-17(21-12-6-4-3-5-7-12)16(18)14-9-8-13(19-2)10-15(14)20-11/h3-10H,1-2H3
InChIKey
MVCRBZMJOMPTSF-UHFFFAOYSA-N
Compound name
7-methoxy-2-methyl-3-phenoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.096476 161.2
[M+Na]+ 305.078418 171.7
[M-H]- 281.081924 170.5
[M+NH4]+ 300.123023 177.1
[M+K]+ 321.052358 169.5
[M+H-H2O]+ 265.086460 153.0
[M+HCOO]- 327.087401 184.3
[M+CH3COO]- 341.103051 201.1
[M+Na-2H]- 303.063866 168.7
[M]+ 282.08865142 167.2
[M]- 282.08974858 167.2
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.