CID 506610

1-[(pyridin-3-ylmethyl)-amino]-anthraquinone

Structural Information

Molecular Formula
C20H14N2O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCC4=CN=CC=C4
InChI
InChI=1S/C20H14N2O2/c23-19-14-6-1-2-7-15(14)20(24)18-16(19)8-3-9-17(18)22-12-13-5-4-10-21-11-13/h1-11,22H,12H2
InChIKey
ZDQSQRLDDMMXQZ-UHFFFAOYSA-N
Compound name
1-(pyridin-3-ylmethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

314.10553 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11281 171.6
[M+Na]+ 337.09475 180.3
[M-H]- 313.09825 178.7
[M+NH4]+ 332.13935 186.1
[M+K]+ 353.06869 173.7
[M+H-H2O]+ 297.10279 161.6
[M+HCOO]- 359.10373 192.2
[M+CH3COO]- 373.11938 182.6
[M+Na-2H]- 335.08020 179.3
[M]+ 314.10498 171.3
[M]- 314.10608 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.