CID 80991

6493-58-9

Structural Information

Molecular Formula
C19H13NO2
SMILES
CC1=CC2=C(C=C1)N=C(C=C2)C3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C19H13NO2/c1-11-6-8-15-12(10-11)7-9-16(20-15)17-18(21)13-4-2-3-5-14(13)19(17)22/h2-10,17H,1H3
InChIKey
VAIIGTVFJAYEKS-UHFFFAOYSA-N
Compound name
2-(6-methylquinolin-2-yl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

287.09464 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10192 165.8
[M+Na]+ 310.08386 182.6
[M+NH4]+ 305.12846 175.4
[M+K]+ 326.05780 175.2
[M-H]- 286.08736 171.1
[M+Na-2H]- 308.06931 173.5
[M]+ 287.09409 169.9
[M]- 287.09519 169.9
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