CID 5320607

Pinnatin

Structural Information

Molecular Formula
C18H12O4
SMILES
COC1=C2C=COC2=CC3=C1C(=O)C=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C18H12O4/c1-20-18-12-7-8-21-15(12)10-16-17(18)13(19)9-14(22-16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
QNWOJWLIFBMWKQ-UHFFFAOYSA-N
Compound name
4-methoxy-7-phenylfuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

27
Patents

292.07355 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08083 162.5
[M+Na]+ 315.06277 175.0
[M-H]- 291.06627 174.0
[M+NH4]+ 310.10737 179.5
[M+K]+ 331.03671 172.9
[M+H-H2O]+ 275.07081 155.5
[M+HCOO]- 337.07175 186.2
[M+CH3COO]- 351.08740 177.1
[M+Na-2H]- 313.04822 170.8
[M]+ 292.07300 170.4
[M]- 292.07410 170.4
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

patents stripe