CID 7582698

90101-87-4

Structural Information

Molecular Formula

C₁₈H₁₄O₄

SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C18H14O4/c1-11-15(19)13-9-6-10-14(18(20)21-2)17(13)22-16(11)12-7-4-3-5-8-12/h3-10H,1-2H3

InChIKey

OSHFQLSUZICPRA-UHFFFAOYSA-N

Compound name

methyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 294.0892 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.096476	164.8
[M+Na]+	317.078418	174.9
[M-H]-	293.081924	174.0
[M+NH4]+	312.123023	180.1
[M+K]+	333.052358	172.4
[M+H-H2O]+	277.086460	156.7
[M+HCOO]-	339.087401	186.8
[M+CH3COO]-	353.103051	203.6
[M+Na-2H]-	315.063866	170.6
[M]+	294.08865142	169.7
[M]-	294.08974858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe