CID 164982

Pachybasin

Structural Information

Molecular Formula
C15H10O3
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H10O3/c1-8-6-11-13(12(16)7-8)15(18)10-5-3-2-4-9(10)14(11)17/h2-7,16H,1H3
InChIKey
AFHWNNJNTNLCQF-UHFFFAOYSA-N
Compound name
1-hydroxy-3-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

32
Patents

238.06299 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07027 148.0
[M+Na]+ 261.05221 159.1
[M-H]- 237.05571 153.2
[M+NH4]+ 256.09681 167.8
[M+K]+ 277.02615 154.3
[M+H-H2O]+ 221.06025 141.9
[M+HCOO]- 283.06119 168.1
[M+CH3COO]- 297.07684 193.0
[M+Na-2H]- 259.03766 154.6
[M]+ 238.06244 149.1
[M]- 238.06354 149.1
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