CID 357013

Nsc614582

Structural Information

Molecular Formula
C19H12O4
SMILES
CC1=C2C(=CC3=C1OC(=O)C=C3C4=CC=CC=C4)C(=O)C=CO2
InChI
InChI=1S/C19H12O4/c1-11-18-15(16(20)7-8-22-18)9-14-13(10-17(21)23-19(11)14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
HSWLGYZOBSLIKO-UHFFFAOYSA-N
Compound name
10-methyl-4-phenylpyrano[3,2-g]chromene-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.07355 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08083 166.7
[M+Na]+ 327.06277 180.0
[M-H]- 303.06627 178.4
[M+NH4]+ 322.10737 181.5
[M+K]+ 343.03671 177.3
[M+H-H2O]+ 287.07081 157.9
[M+HCOO]- 349.07175 189.3
[M+CH3COO]- 363.08740 180.8
[M+Na-2H]- 325.04822 176.5
[M]+ 304.07300 173.7
[M]- 304.07410 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.