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]+ 276.10192 162.1
[M+Na]+ 298.08386 172.5
[M-H]- 274.08736 166.6
[M+NH4]+ 293.12846 181.4
[M+K]+ 314.05780 166.5
[M+H-H2O]+ 258.09190 155.1
[M+HCOO]- 320.09284 180.4
[M+CH3COO]- 334.10849 174.3
[M+Na-2H]- 296.06931 167.3
[M]+ 275.09409 163.8
[M]- 275.09519 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.