CID 387963

Nsc682322

Structural Information

Molecular Formula
C17H18O4
SMILES
CC1=C(OC2=CC3=C(C=CC(O3)(C)C)C(=C2C1=O)OC)C
InChI
InChI=1S/C17H18O4/c1-9-10(2)20-13-8-12-11(6-7-17(3,4)21-12)16(19-5)14(13)15(9)18/h6-8H,1-5H3
InChIKey
MCDLRGWIEDUOIY-UHFFFAOYSA-N
Compound name
5-methoxy-2,2,7,8-tetramethylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1205 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 162.3
[M+Na]+ 309.10972 174.9
[M-H]- 285.11322 170.7
[M+NH4]+ 304.15432 180.8
[M+K]+ 325.08366 174.1
[M+H-H2O]+ 269.11776 155.7
[M+HCOO]- 331.11870 181.3
[M+CH3COO]- 345.13435 205.6
[M+Na-2H]- 307.09517 170.2
[M]+ 286.11995 170.2
[M]- 286.12105 170.2
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.