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

19
Patents

294.0892 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 164.8
[M+Na]+ 317.07842 174.9
[M-H]- 293.08192 174.0
[M+NH4]+ 312.12302 180.1
[M+K]+ 333.05236 172.4
[M+H-H2O]+ 277.08646 156.7
[M+HCOO]- 339.08740 186.8
[M+CH3COO]- 353.10305 203.6
[M+Na-2H]- 315.06387 170.6
[M]+ 294.08865 169.7
[M]- 294.08975 169.7
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

patents stripe