CID 363825

Nsc629041

Structural Information

Molecular Formula
C32H26O2
SMILES
CCOC(=O)C1C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H26O2/c1-2-34-32(33)31-29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(31)26-21-13-6-14-22-26/h3-22,31H,2H2,1H3
InChIKey
JNDCAELWRTYTCS-UHFFFAOYSA-N
Compound name
ethyl 2,3,4,5-tetraphenylcyclopenta-2,4-diene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.19327 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.20055 213.2
[M+Na]+ 465.18249 218.7
[M-H]- 441.18599 228.3
[M+NH4]+ 460.22709 222.5
[M+K]+ 481.15643 211.0
[M+H-H2O]+ 425.19053 201.3
[M+HCOO]- 487.19147 234.8
[M+CH3COO]- 501.20712 222.0
[M+Na-2H]- 463.16794 211.0
[M]+ 442.19272 213.4
[M]- 442.19382 213.4
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.