CID 117116

71334-46-8

Structural Information

Molecular Formula
C29H31NO4
SMILES
CCCCCCCCCOC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C29H31NO4/c1-2-3-4-5-6-7-10-19-34-21-15-13-20(14-16-21)30-24-17-18-25(31)27-26(24)28(32)22-11-8-9-12-23(22)29(27)33/h8-9,11-18,30-31H,2-7,10,19H2,1H3
InChIKey
LDBLFGUVYMSWJD-UHFFFAOYSA-N
Compound name
1-hydroxy-4-(4-nonoxyanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

457.2253 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.23258 215.9
[M+Na]+ 480.21452 230.3
[M+NH4]+ 475.25912 222.8
[M+K]+ 496.18846 219.7
[M-H]- 456.21802 221.4
[M+Na-2H]- 478.19997 221.3
[M]+ 457.22475 219.6
[M]- 457.22585 219.6
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