CID 365205

Nsc632497

Structural Information

Molecular Formula
C16H10O4
SMILES
CC1=CC(=O)OC2=CC3=C(C=C12)OC4=CC=CC=C4O3
InChI
InChI=1S/C16H10O4/c1-9-6-16(17)20-13-8-15-14(7-10(9)13)18-11-4-2-3-5-12(11)19-15/h2-8H,1H3
InChIKey
ROITZIPCOVPVAO-UHFFFAOYSA-N
Compound name
4-methylpyrano[2,3-b]oxanthren-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.05792 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06520 154.4
[M+Na]+ 289.04714 166.1
[M-H]- 265.05064 163.7
[M+NH4]+ 284.09174 170.3
[M+K]+ 305.02108 165.6
[M+H-H2O]+ 249.05518 146.8
[M+HCOO]- 311.05612 172.5
[M+CH3COO]- 325.07177 168.3
[M+Na-2H]- 287.03259 166.0
[M]+ 266.05737 159.8
[M]- 266.05847 159.8
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.