CID 13976

Quinacridone

Structural Information

Molecular Formula
C20H12N2O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=CC=CC=C5N4
InChI
InChI=1S/C20H12N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10H,(H,21,23)(H,22,24)
InChIKey
NRCMAYZCPIVABH-UHFFFAOYSA-N
Compound name
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

40
References

41203
Patents

312.08987 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09715 169.8
[M+Na]+ 335.07909 183.3
[M-H]- 311.08259 173.2
[M+NH4]+ 330.12369 184.5
[M+K]+ 351.05303 173.9
[M+H-H2O]+ 295.08713 160.0
[M+HCOO]- 357.08807 186.8
[M+CH3COO]- 371.10372 181.0
[M+Na-2H]- 333.06454 181.6
[M]+ 312.08932 171.6
[M]- 312.09042 171.6
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

patents stripe