CID 105934

67875-20-1

Structural Information

Molecular Formula
C25H23NO4
SMILES
CCCCCC1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C25H23NO4/c1-2-3-4-7-15-10-12-16(13-11-15)30-20-14-19(27)21-22(23(20)26)25(29)18-9-6-5-8-17(18)24(21)28/h5-6,8-14,27H,2-4,7,26H2,1H3
InChIKey
FMJLZDIPOPILLS-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-(4-pentylphenoxy)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.16272 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17000 198.2
[M+Na]+ 424.15194 213.5
[M+NH4]+ 419.19654 205.7
[M+K]+ 440.12588 204.4
[M-H]- 400.15544 203.8
[M+Na-2H]- 422.13739 204.0
[M]+ 401.16217 202.1
[M]- 401.16327 202.1
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.