CID 79973

6,13-dihydroquinacridone

Structural Information

Molecular Formula
C20H14N2O2
SMILES
C1C2=C(CC3=C1NC4=CC=CC=C4C3=O)NC5=CC=CC=C5C2=O
InChI
InChI=1S/C20H14N2O2/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/h1-8H,9-10H2,(H,21,23)(H,22,24)
InChIKey
SNDAOXYSCAWUFQ-UHFFFAOYSA-N
Compound name
5,6,12,13-tetrahydroquinolino[2,3-b]acridine-7,14-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

365
Patents

314.10553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11281 170.3
[M+Na]+ 337.09475 181.8
[M-H]- 313.09825 172.8
[M+NH4]+ 332.13935 184.7
[M+K]+ 353.06869 172.6
[M+H-H2O]+ 297.10279 160.3
[M+HCOO]- 359.10373 184.5
[M+CH3COO]- 373.11938 180.5
[M+Na-2H]- 335.08020 180.1
[M]+ 314.10498 169.3
[M]- 314.10608 169.3
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

patents stripe