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 226.0
[M+Na]+ 555.13155 232.0
[M-H]- 531.13505 238.4
[M+NH4]+ 550.17615 233.0
[M+K]+ 571.10549 224.8
[M+H-H2O]+ 515.13959 210.9
[M+HCOO]- 577.14053 241.9
[M+CH3COO]- 591.15618 232.3
[M+Na-2H]- 553.11700 229.6
[M]+ 532.14178 224.6
[M]- 532.14288 224.6
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

No patent data available for this compound.