CID 91913

55879-93-1

Structural Information

Molecular Formula
C33H21NO3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C33H21NO3/c35-31(23-15-13-22(14-16-23)21-7-2-1-3-8-21)24-17-19-25(20-18-24)34-29-12-6-11-28-30(29)33(37)27-10-5-4-9-26(27)32(28)36/h1-20,34H
InChIKey
XTWMLXVGQRVEMQ-UHFFFAOYSA-N
Compound name
1-[4-(4-phenylbenzoyl)anilino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

479.15213 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.15941 218.7
[M+Na]+ 502.14135 224.6
[M-H]- 478.14485 231.8
[M+NH4]+ 497.18595 225.8
[M+K]+ 518.11529 216.6
[M+H-H2O]+ 462.14939 204.8
[M+HCOO]- 524.15033 236.5
[M+CH3COO]- 538.16598 225.9
[M+Na-2H]- 500.12680 220.8
[M]+ 479.15158 216.7
[M]- 479.15268 216.7
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