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
2
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 197.7
[M+Na]+ 424.15194 205.8
[M-H]- 400.15544 204.5
[M+NH4]+ 419.19654 209.6
[M+K]+ 440.12588 199.4
[M+H-H2O]+ 384.15998 188.1
[M+HCOO]- 446.16092 215.7
[M+CH3COO]- 460.17657 228.5
[M+Na-2H]- 422.13739 199.2
[M]+ 401.16217 199.9
[M]- 401.16327 199.9
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.