CID 434354

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

Structural Information

Molecular Formula
C17H11NO2
SMILES
C1C2=CC=CC=C2C3=NC4=CC=CC=C4C(=C31)C(=O)O
InChI
InChI=1S/C17H11NO2/c19-17(20)15-12-7-3-4-8-14(12)18-16-11-6-2-1-5-10(11)9-13(15)16/h1-8H,9H2,(H,19,20)
InChIKey
VVCCVYMFSIACNJ-UHFFFAOYSA-N
Compound name
11H-indeno[1,2-b]quinoline-10-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

261.07898 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.086256 157.0
[M+Na]+ 284.068198 167.0
[M-H]- 260.071704 161.3
[M+NH4]+ 279.112803 176.6
[M+K]+ 300.042138 161.1
[M+H-H2O]+ 244.076240 149.9
[M+HCOO]- 306.077181 175.7
[M+CH3COO]- 320.092831 169.3
[M+Na-2H]- 282.053646 163.5
[M]+ 261.07843142 158.0
[M]- 261.07952858 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.