CID 363398

Nsc628301

Structural Information

Molecular Formula
C24H14O2
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=C(C(=O)C3=O)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C24H14O2/c25-23-21(19-13-5-9-15-7-1-3-11-17(15)19)22(24(23)26)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKey
RVVINPXTKHEJOK-UHFFFAOYSA-N
Compound name
3,4-dinaphthalen-1-ylcyclobut-3-ene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.09937 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10665 174.9
[M+Na]+ 357.08859 186.4
[M-H]- 333.09209 187.2
[M+NH4]+ 352.13319 184.4
[M+K]+ 373.06253 182.3
[M+H-H2O]+ 317.09663 160.0
[M+HCOO]- 379.09757 198.0
[M+CH3COO]- 393.11322 187.3
[M+Na-2H]- 355.07404 182.2
[M]+ 334.09882 187.3
[M]- 334.09992 187.3
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.