CID 4076268

10-(4-ethoxybenzylidene)-9-anthrone

Structural Information

Molecular Formula
C23H18O2
SMILES
CCOC1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42
InChI
InChI=1S/C23H18O2/c1-2-25-17-13-11-16(12-14-17)15-22-18-7-3-5-9-20(18)23(24)21-10-6-4-8-19(21)22/h3-15H,2H2,1H3
InChIKey
XLJUBHLUQKVFTI-UHFFFAOYSA-N
Compound name
10-[(4-ethoxyphenyl)methylidene]anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13068 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13796 177.7
[M+Na]+ 349.11990 186.0
[M-H]- 325.12340 185.8
[M+NH4]+ 344.16450 193.5
[M+K]+ 365.09384 179.0
[M+H-H2O]+ 309.12794 168.3
[M+HCOO]- 371.12888 197.5
[M+CH3COO]- 385.14453 188.7
[M+Na-2H]- 347.10535 182.9
[M]+ 326.13013 178.3
[M]- 326.13123 178.3
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.