CID 364116

Nsc629785

Structural Information

Molecular Formula
C19H16O4
SMILES
CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3)C)C)C(=O)O
InChI
InChI=1S/C19H16O4/c1-10-4-6-13(7-5-10)16-9-15(20)14-8-11(2)12(3)17(19(21)22)18(14)23-16/h4-9H,1-3H3,(H,21,22)
InChIKey
JMGFBWJVTVFYKM-UHFFFAOYSA-N
Compound name
6,7-dimethyl-2-(4-methylphenyl)-4-oxochromene-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.10486 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11214 169.2
[M+Na]+ 331.09408 180.1
[M-H]- 307.09758 177.6
[M+NH4]+ 326.13868 183.7
[M+K]+ 347.06802 176.8
[M+H-H2O]+ 291.10212 161.5
[M+HCOO]- 353.10306 189.2
[M+CH3COO]- 367.11871 207.5
[M+Na-2H]- 329.07953 172.6
[M]+ 308.10431 173.6
[M]- 308.10541 173.6
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.