CID 386498

Nsc678868

Structural Information

Molecular Formula
C23H18O6
SMILES
CC1=CC2=C(CC(C3=C2C(=O)C4=CC=CC=C4C3=O)(C(=O)OC)C(=O)OC)C=C1
InChI
InChI=1S/C23H18O6/c1-12-8-9-13-11-23(21(26)28-2,22(27)29-3)18-17(16(13)10-12)19(24)14-6-4-5-7-15(14)20(18)25/h4-10H,11H2,1-3H3
InChIKey
HTFWVGJGXBDMIG-UHFFFAOYSA-N
Compound name
dimethyl 2-methyl-7,12-dioxo-5H-benzo[c]anthracene-6,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.11035 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.11763 187.4
[M+Na]+ 413.09957 196.5
[M-H]- 389.10307 193.7
[M+NH4]+ 408.14417 203.7
[M+K]+ 429.07351 193.2
[M+H-H2O]+ 373.10761 179.1
[M+HCOO]- 435.10855 202.7
[M+CH3COO]- 449.12420 224.2
[M+Na-2H]- 411.08502 190.8
[M]+ 390.10980 192.3
[M]- 390.11090 192.3
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.