CID 337127

Nsc353905

Structural Information

Molecular Formula
C18H14N2O2
SMILES
CC1=CC(=O)C2=C(N1)C3=C(C=C2)C4=C(C=C3)C(=O)C=C(N4)C
InChI
InChI=1S/C18H14N2O2/c1-9-7-15(21)13-5-4-12-11(17(13)19-9)3-6-14-16(22)8-10(2)20-18(12)14/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKey
NRYJMAWGDMJRRS-UHFFFAOYSA-N
Compound name
3,9-dimethyl-4,10-dihydroquinolino[8,7-h]quinoline-1,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

290.10553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 166.7
[M+Na]+ 313.09475 180.1
[M-H]- 289.09825 169.2
[M+NH4]+ 308.13935 182.0
[M+K]+ 329.06869 171.7
[M+H-H2O]+ 273.10279 158.1
[M+HCOO]- 335.10373 183.5
[M+CH3COO]- 349.11938 178.2
[M+Na-2H]- 311.08020 174.9
[M]+ 290.10498 168.4
[M]- 290.10608 168.4
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.