CID 45051186

11-methyl-11h-indeno[1,2-b]quinoline-10-carboxylic acid

Structural Information

Molecular Formula
C18H13NO2
SMILES
CC1C2=CC=CC=C2C3=NC4=CC=CC=C4C(=C13)C(=O)O
InChI
InChI=1S/C18H13NO2/c1-10-11-6-2-3-7-12(11)17-15(10)16(18(20)21)13-8-4-5-9-14(13)19-17/h2-10H,1H3,(H,20,21)
InChIKey
QQTNFQXKVNIQFV-UHFFFAOYSA-N
Compound name
11-methyl-11H-indeno[1,2-b]quinoline-10-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.09464 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.101916 162.1
[M+Na]+ 298.083858 172.5
[M-H]- 274.087364 166.6
[M+NH4]+ 293.128463 181.4
[M+K]+ 314.057798 166.5
[M+H-H2O]+ 258.091900 155.1
[M+HCOO]- 320.092841 180.4
[M+CH3COO]- 334.108491 174.3
[M+Na-2H]- 296.069306 167.3
[M]+ 275.09409142 163.8
[M]- 275.09518858 163.8
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.