CID 3038475

Ns00124785

Structural Information

Molecular Formula
C19H16O5
SMILES
CC(C)OC1=CC=CC=C1OC(=O)C2=CC3=C(C=C2)OC=CC3=O
InChI
InChI=1S/C19H16O5/c1-12(2)23-17-5-3-4-6-18(17)24-19(21)13-7-8-16-14(11-13)15(20)9-10-22-16/h3-12H,1-2H3
InChIKey
QSFXGJCJRHPTFW-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) 4-oxochromene-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09976 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.107036 172.6
[M+Na]+ 347.088978 180.8
[M-H]- 323.092484 181.3
[M+NH4]+ 342.133583 186.1
[M+K]+ 363.062918 179.3
[M+H-H2O]+ 307.097020 164.0
[M+HCOO]- 369.097961 193.4
[M+CH3COO]- 383.113611 208.4
[M+Na-2H]- 345.074426 177.5
[M]+ 324.09921142 178.3
[M]- 324.10030858 178.3
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.