CID 363826

Nsc629042

Structural Information

Molecular Formula
C28H20O3
SMILES
C1=CC=C(C=C1)C2=C3C(=C(C(=C2)CCO)C4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O
InChI
InChI=1S/C28H20O3/c29-16-15-20-17-23(18-9-3-1-4-10-18)25-26(24(20)19-11-5-2-6-12-19)28(31)22-14-8-7-13-21(22)27(25)30/h1-14,17,29H,15-16H2
InChIKey
GPXZNHFAQYZKCQ-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethyl)-1,4-diphenylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.14124 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.14852 199.6
[M+Na]+ 427.13046 207.7
[M-H]- 403.13396 209.5
[M+NH4]+ 422.17506 210.9
[M+K]+ 443.10440 199.7
[M+H-H2O]+ 387.13850 188.3
[M+HCOO]- 449.13944 217.1
[M+CH3COO]- 463.15509 208.8
[M+Na-2H]- 425.11591 202.4
[M]+ 404.14069 199.4
[M]- 404.14179 199.4
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.