CID 3047350

63326-88-5

Structural Information

Molecular Formula
C19H14O4
SMILES
CC(=O)CC1C2=CC=CC=C2OC3=C1C(=O)OC4=CC=CC=C43
InChI
InChI=1S/C19H14O4/c1-11(20)10-14-12-6-2-4-8-15(12)22-18-13-7-3-5-9-16(13)23-19(21)17(14)18/h2-9,14H,10H2,1H3
InChIKey
UCBOKJIASIHXHY-UHFFFAOYSA-N
Compound name
7-(2-oxopropyl)-7H-chromeno[3,2-c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0892 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.096476 166.7
[M+Na]+ 329.078418 176.5
[M-H]- 305.081924 174.6
[M+NH4]+ 324.123023 181.9
[M+K]+ 345.052358 174.4
[M+H-H2O]+ 289.086460 158.4
[M+HCOO]- 351.087401 183.7
[M+CH3COO]- 365.103051 178.9
[M+Na-2H]- 327.063866 175.0
[M]+ 306.08865142 171.0
[M]- 306.08974858 171.0
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.