CID 386499

Nsc678869

Structural Information

Molecular Formula
C23H18O7
SMILES
COC1=CC2=C(CC(C3=C2C(=O)C4=CC=CC=C4C3=O)(C(=O)OC)C(=O)OC)C=C1
InChI
InChI=1S/C23H18O7/c1-28-13-9-8-12-11-23(21(26)29-2,22(27)30-3)18-17(16(12)10-13)19(24)14-6-4-5-7-15(14)20(18)25/h4-10H,11H2,1-3H3
InChIKey
TUQXULFWBAPRNE-UHFFFAOYSA-N
Compound name
dimethyl 2-methoxy-7,12-dioxo-5H-benzo[c]anthracene-6,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.10526 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.11254 190.0
[M+Na]+ 429.09448 198.7
[M-H]- 405.09798 196.1
[M+NH4]+ 424.13908 205.4
[M+K]+ 445.06842 196.3
[M+H-H2O]+ 389.10252 181.4
[M+HCOO]- 451.10346 205.4
[M+CH3COO]- 465.11911 226.5
[M+Na-2H]- 427.07993 193.7
[M]+ 406.10471 196.3
[M]- 406.10581 196.3
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.