CID 393210

Nsc694698

Structural Information

Molecular Formula
C24H22O4
SMILES
CC1=C2C3=C(C(=C(C(=C3C4=C(C=CC(=C24)C=C1)C)C)C(=O)OC)C(=O)OC)C
InChI
InChI=1S/C24H22O4/c1-11-7-9-15-10-8-12(2)17-19-14(4)21(24(26)28-6)20(23(25)27-5)13(3)18(19)16(11)22(15)17/h7-10H,1-6H3
InChIKey
GDGBSSOXLHZDQI-UHFFFAOYSA-N
Compound name
dimethyl 1,6,7,10-tetramethylfluoranthene-8,9-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1518 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15908 191.1
[M+Na]+ 397.14102 201.9
[M-H]- 373.14452 198.0
[M+NH4]+ 392.18562 209.4
[M+K]+ 413.11496 197.6
[M+H-H2O]+ 357.14906 184.5
[M+HCOO]- 419.15000 209.1
[M+CH3COO]- 433.16565 227.0
[M+Na-2H]- 395.12647 190.3
[M]+ 374.15125 200.7
[M]- 374.15235 200.7
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.