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]+ 385.128176 186.8
[M+Na]+ 407.110118 197.7
[M-H]- 383.113624 195.5
[M+NH4]+ 402.154723 198.3
[M+K]+ 423.084058 196.7
[M+H-H2O]+ 367.118160 178.2
[M+HCOO]- 429.119101 206.4
[M+CH3COO]- 443.134751 223.1
[M+Na-2H]- 405.095566 188.2
[M]+ 384.12035142 197.1
[M]- 384.12144858 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.