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]+ 309.112136 169.2
[M+Na]+ 331.094078 180.1
[M-H]- 307.097584 177.6
[M+NH4]+ 326.138683 183.7
[M+K]+ 347.068018 176.8
[M+H-H2O]+ 291.102120 161.5
[M+HCOO]- 353.103061 189.2
[M+CH3COO]- 367.118711 207.5
[M+Na-2H]- 329.079526 172.6
[M]+ 308.10431142 173.6
[M]- 308.10540858 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.