CID 373411

Nsc649666

Structural Information

Molecular Formula
C15H14O5
SMILES
CC1=CC2=C(C=C(C1=O)C)C(=O)C(=C(C2=O)OC)OC
InChI
InChI=1S/C15H14O5/c1-7-5-9-10(6-8(2)11(7)16)13(18)15(20-4)14(19-3)12(9)17/h5-6H,1-4H3
InChIKey
JWKIIHAMODQGRC-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-6,8-dimethylbenzo[7]annulene-1,4,7-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08414 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 150.8
[M+Na]+ 297.07336 160.8
[M-H]- 273.07686 158.1
[M+NH4]+ 292.11796 168.4
[M+K]+ 313.04730 164.0
[M+H-H2O]+ 257.08140 146.7
[M+HCOO]- 319.08234 172.7
[M+CH3COO]- 333.09799 204.1
[M+Na-2H]- 295.05881 153.8
[M]+ 274.08359 154.8
[M]- 274.08469 154.8
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.