CID 131751233

3-methoxy-2-(4-methylbenzoyl)-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C18H14O4
SMILES
CC1=CC=C(C=C1)C(=O)C2=C(C(=O)C3=CC=CC=C3O2)OC
InChI
InChI=1S/C18H14O4/c1-11-7-9-12(10-8-11)15(19)18-17(21-2)16(20)13-5-3-4-6-14(13)22-18/h3-10H,1-2H3
InChIKey
JDTVHPZFOBNGBS-UHFFFAOYSA-N
Compound name
3-methoxy-2-(4-methylbenzoyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 164.1
[M+Na]+ 317.07842 181.0
[M+NH4]+ 312.12302 172.4
[M+K]+ 333.05236 173.6
[M-H]- 293.08192 170.3
[M+Na-2H]- 315.06387 172.6
[M]+ 294.08865 168.5
[M]- 294.08975 168.5
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.