CID 1235191

6,7-dimethoxy-4-phenylcoumarin

Structural Information

Molecular Formula
C17H14O4
SMILES
COC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OC
InChI
InChI=1S/C17H14O4/c1-19-15-8-13-12(11-6-4-3-5-7-11)9-17(18)21-14(13)10-16(15)20-2/h3-10H,1-2H3
InChIKey
BUZZVHCRHOIKOC-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

282.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 161.2
[M+Na]+ 305.07842 171.7
[M-H]- 281.08192 170.5
[M+NH4]+ 300.12302 177.1
[M+K]+ 321.05236 169.5
[M+H-H2O]+ 265.08646 153.0
[M+HCOO]- 327.08740 184.3
[M+CH3COO]- 341.10305 201.1
[M+Na-2H]- 303.06387 168.7
[M]+ 282.08865 167.2
[M]- 282.08975 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

literature stripe

Patent stripe

patents stripe