CID 364111

Nsc629780

Structural Information

Molecular Formula
C19H14O6
SMILES
CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C19H14O6/c1-9-7-13-14(20)8-15(11-3-5-12(6-4-11)18(21)22)25-17(13)16(10(9)2)19(23)24/h3-8H,1-2H3,(H,21,22)(H,23,24)
InChIKey
IADLBUBDKANABH-UHFFFAOYSA-N
Compound name
2-(4-carboxyphenyl)-6,7-dimethyl-4-oxochromene-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.07904 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08632 173.8
[M+Na]+ 361.06826 183.7
[M-H]- 337.07176 180.9
[M+NH4]+ 356.11286 185.9
[M+K]+ 377.04220 181.2
[M+H-H2O]+ 321.07630 166.2
[M+HCOO]- 383.07724 191.8
[M+CH3COO]- 397.09289 210.3
[M+Na-2H]- 359.05371 176.0
[M]+ 338.07849 178.1
[M]- 338.07959 178.1
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.