CID 361869

Nsc625190

Structural Information

Molecular Formula
C19H16O3
SMILES
C1C2C3C(C2C(=O)O1)C4=CC=CC=C4C(C5=CC=CC=C35)O
InChI
InChI=1S/C19H16O3/c20-18-12-7-3-1-5-10(12)15-14-9-22-19(21)17(14)16(15)11-6-2-4-8-13(11)18/h1-8,14-18,20H,9H2
InChIKey
KAFDISJYHBMFEQ-UHFFFAOYSA-N
Compound name
8-hydroxy-18-oxapentacyclo[13.5.0.02,7.09,14.016,20]icosa-2,4,6,9,11,13-hexaen-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10995 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.117226 159.9
[M+Na]+ 315.099168 167.8
[M-H]- 291.102674 168.3
[M+NH4]+ 310.143773 172.9
[M+K]+ 331.073108 168.1
[M+H-H2O]+ 275.107210 153.4
[M+HCOO]- 337.108151 174.7
[M+CH3COO]- 351.123801 171.4
[M+Na-2H]- 313.084616 164.8
[M]+ 292.10940142 166.8
[M]- 292.11049858 166.8
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.