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 165.7
[M+Na]+ 310.08386 176.7
[M-H]- 286.08736 173.8
[M+NH4]+ 305.12846 184.1
[M+K]+ 326.05780 170.4
[M+H-H2O]+ 270.09190 157.6
[M+HCOO]- 332.09284 186.5
[M+CH3COO]- 346.10849 178.4
[M+Na-2H]- 308.06931 169.5
[M]+ 287.09409 167.1
[M]- 287.09519 167.1
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