CID 5084612

N,n'-bis(2-anthraquinonyl)benzamidine

Structural Information

Molecular Formula
C35H20N2O4
SMILES
C1=CC=C(C=C1)C(=NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NC5=CC6=C(C=C5)C(=O)C7=CC=CC=C7C6=O
InChI
InChI=1S/C35H20N2O4/c38-31-23-10-4-6-12-25(23)33(40)29-18-21(14-16-27(29)31)36-35(20-8-2-1-3-9-20)37-22-15-17-28-30(19-22)34(41)26-13-7-5-11-24(26)32(28)39/h1-19H,(H,36,37)
InChIKey
VALHRMGGHSLSOJ-UHFFFAOYSA-N
Compound name
N,N'-bis(9,10-dioxoanthracen-2-yl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.14233 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.14961 229.5
[M+Na]+ 555.13155 248.1
[M+NH4]+ 550.17615 237.8
[M+K]+ 571.10549 235.8
[M-H]- 531.13505 239.9
[M+Na-2H]- 553.11700 238.3
[M]+ 532.14178 235.3
[M]- 532.14288 235.3
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.