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

9
Patents

290.10553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.112806 166.7
[M+Na]+ 313.094748 180.1
[M-H]- 289.098254 169.2
[M+NH4]+ 308.139353 182.0
[M+K]+ 329.068688 171.7
[M+H-H2O]+ 273.102790 158.1
[M+HCOO]- 335.103731 183.5
[M+CH3COO]- 349.119381 178.2
[M+Na-2H]- 311.080196 174.9
[M]+ 290.10498142 168.4
[M]- 290.10607858 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

patents stripe