CID 3084552

1-((4-cyclohexylphenyl)amino)-4-hydroxy-9,10-anthracenedione

Structural Information

Molecular Formula
C26H23NO3
SMILES
C1CCC(CC1)C2=CC=C(C=C2)NC3=C4C(=C(C=C3)O)C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C26H23NO3/c28-22-15-14-21(23-24(22)26(30)20-9-5-4-8-19(20)25(23)29)27-18-12-10-17(11-13-18)16-6-2-1-3-7-16/h4-5,8-16,27-28H,1-3,6-7H2
InChIKey
UDHAIWFSHMRBQX-UHFFFAOYSA-N
Compound name
1-(4-cyclohexylanilino)-4-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

397.1678 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17508 194.1
[M+Na]+ 420.15702 199.3
[M-H]- 396.16052 203.0
[M+NH4]+ 415.20162 205.2
[M+K]+ 436.13096 192.1
[M+H-H2O]+ 380.16506 183.2
[M+HCOO]- 442.16600 209.1
[M+CH3COO]- 456.18165 202.1
[M+Na-2H]- 418.14247 196.1
[M]+ 397.16725 188.7
[M]- 397.16835 188.7
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

patents stripe