CID 5386330

Nsc607393

Structural Information

Molecular Formula
C18H14O7
SMILES
COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)O)C(=O)O)OC
InChI
InChI=1S/C18H14O7/c1-23-12-6-3-9(7-14(12)24-2)15-16(20)11-5-4-10(19)8-13(11)25-17(15)18(21)22/h3-8,19H,1-2H3,(H,21,22)
InChIKey
DLKXBQGTFKSEJO-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-7-hydroxy-4-oxochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.07394 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08122 173.6
[M+Na]+ 365.06316 183.7
[M-H]- 341.06666 180.8
[M+NH4]+ 360.10776 185.6
[M+K]+ 381.03710 182.2
[M+H-H2O]+ 325.07120 165.5
[M+HCOO]- 387.07214 192.9
[M+CH3COO]- 401.08779 209.3
[M+Na-2H]- 363.04861 177.5
[M]+ 342.07339 180.3
[M]- 342.07449 180.3
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.