CID 77267

3-methoxybenzanthrone

Structural Information

Molecular Formula
C18H12O2
SMILES
COC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H12O2/c1-20-16-10-9-12-11-5-2-3-6-13(11)18(19)15-8-4-7-14(16)17(12)15/h2-10H,1H3
InChIKey
BGQDCDRDPCVLJE-UHFFFAOYSA-N
Compound name
3-methoxybenzo[b]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

117
Patents

260.08374 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09102 156.2
[M+Na]+ 283.07296 166.3
[M-H]- 259.07646 162.3
[M+NH4]+ 278.11756 176.5
[M+K]+ 299.04690 161.1
[M+H-H2O]+ 243.08100 148.4
[M+HCOO]- 305.08194 176.0
[M+CH3COO]- 319.09759 169.1
[M+Na-2H]- 281.05841 165.3
[M]+ 260.08319 159.2
[M]- 260.08429 159.2
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