CID 364115

Nsc629784

Structural Information

Molecular Formula
C21H20O7
SMILES
CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H20O7/c1-10-6-13-14(22)9-15(28-19(13)18(11(10)2)21(23)24)12-7-16(25-3)20(27-5)17(8-12)26-4/h6-9H,1-5H3,(H,23,24)
InChIKey
WYGZBLPTVVZJTD-UHFFFAOYSA-N
Compound name
6,7-dimethyl-4-oxo-2-(3,4,5-trimethoxyphenyl)chromene-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1209 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12818 186.8
[M+Na]+ 407.11012 197.7
[M-H]- 383.11362 195.5
[M+NH4]+ 402.15472 198.3
[M+K]+ 423.08406 196.7
[M+H-H2O]+ 367.11816 178.2
[M+HCOO]- 429.11910 206.4
[M+CH3COO]- 443.13475 223.1
[M+Na-2H]- 405.09557 188.2
[M]+ 384.12035 197.1
[M]- 384.12145 197.1
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.