CID 51060007

882864-39-3

Structural Information

Molecular Formula
C28H16Cl2N2O4
SMILES
C1=CC(=CC(=C1)Cl)C(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C28H16Cl2N2O4/c29-17-5-1-3-15(11-17)27(35)31-19-7-9-21-23(13-19)25(33)22-10-8-20(14-24(22)26(21)34)32-28(36)16-4-2-6-18(30)12-16/h1-14H,(H,31,35)(H,32,36)
InChIKey
WTULGNOJNWYWRN-UHFFFAOYSA-N
Compound name
3-chloro-N-[6-[(3-chlorobenzoyl)amino]-9,10-dioxoanthracen-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.0487 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.05598 218.0
[M+Na]+ 537.03792 226.6
[M-H]- 513.04142 228.5
[M+NH4]+ 532.08252 226.5
[M+K]+ 553.01186 219.3
[M+H-H2O]+ 497.04596 208.4
[M+HCOO]- 559.04690 228.4
[M+CH3COO]- 573.06255 225.8
[M+Na-2H]- 535.02337 219.2
[M]+ 514.04815 222.8
[M]- 514.04925 222.8
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.