CID 3084886

43095-70-1

Structural Information

Molecular Formula
C35H27N3O3
SMILES
CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC(=O)C4=CC=CC=C4)C(=O)C5=C(C3=O)C(=CC=C5)NC6=CC=C(C=C6)C
InChI
InChI=1S/C35H27N3O3/c1-21-11-15-24(16-12-21)36-27-10-6-9-26-30(27)34(40)32-28(37-25-17-13-22(2)14-18-25)19-20-29(31(32)33(26)39)38-35(41)23-7-4-3-5-8-23/h3-20,36-37H,1-2H3,(H,38,41)
InChIKey
PHESYJSKVFUDNV-UHFFFAOYSA-N
Compound name
N-[4,5-bis(4-methylanilino)-9,10-dioxoanthracen-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.20526 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.21254 237.1
[M+Na]+ 560.19448 254.4
[M+NH4]+ 555.23908 244.4
[M+K]+ 576.16842 242.6
[M-H]- 536.19798 248.9
[M+Na-2H]- 558.17993 247.7
[M]+ 537.20471 243.1
[M]- 537.20581 243.1
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.