CID 354368

19725-44-1

Structural Information

Molecular Formula
C17H14O3
SMILES
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C17H14O3/c1-11-16(12-6-4-3-5-7-12)17(18)14-9-8-13(19-2)10-15(14)20-11/h3-10H,1-2H3
InChIKey
XRGWZIGGCNSFRY-UHFFFAOYSA-N
Compound name
7-methoxy-2-methyl-3-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

43
Patents

266.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 157.9
[M+Na]+ 289.08352 168.6
[M-H]- 265.08702 167.3
[M+NH4]+ 284.12812 174.6
[M+K]+ 305.05746 165.8
[M+H-H2O]+ 249.09156 150.1
[M+HCOO]- 311.09250 180.9
[M+CH3COO]- 325.10815 171.7
[M+Na-2H]- 287.06897 165.4
[M]+ 266.09375 162.5
[M]- 266.09485 162.5
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