CID 364117

Nsc629786

Structural Information

Molecular Formula
C20H16O4
SMILES
C1CCC2=C(C3=C(C=C2C1)C(=O)C=C(O3)C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C20H16O4/c21-16-11-17(12-6-2-1-3-7-12)24-19-15(16)10-13-8-4-5-9-14(13)18(19)20(22)23/h1-3,6-7,10-11H,4-5,8-9H2,(H,22,23)
InChIKey
VUCCSVCKXQGXSM-UHFFFAOYSA-N
Compound name
4-oxo-2-phenyl-6,7,8,9-tetrahydrobenzo[g]chromene-10-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.10486 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11214 171.1
[M+Na]+ 343.09408 178.8
[M-H]- 319.09758 178.8
[M+NH4]+ 338.13868 184.9
[M+K]+ 359.06802 174.9
[M+H-H2O]+ 303.10212 162.5
[M+HCOO]- 365.10306 187.4
[M+CH3COO]- 379.11871 182.0
[M+Na-2H]- 341.07953 176.3
[M]+ 320.10431 170.7
[M]- 320.10541 170.7
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

No patent data available for this compound.