CID 10733280

Musanolone e

Structural Information

Molecular Formula
C19H12O4
SMILES
C1=CC2=C3C(=C1)C(=C(C(=O)C3=C(C=C2)C4=CC=C(C=C4)O)O)O
InChI
InChI=1S/C19H12O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,20-21,23H
InChIKey
CFIUGIYVJPSAET-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-9-(4-hydroxyphenyl)phenalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.07355 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08083 167.9
[M+Na]+ 327.06277 177.8
[M-H]- 303.06627 172.9
[M+NH4]+ 322.10737 183.4
[M+K]+ 343.03671 171.8
[M+H-H2O]+ 287.07081 160.4
[M+HCOO]- 349.07175 184.8
[M+CH3COO]- 363.08740 179.1
[M+Na-2H]- 325.04822 173.5
[M]+ 304.07300 168.6
[M]- 304.07410 168.6
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