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]+ 262.08626 157.0
[M+Na]+ 284.06820 167.0
[M-H]- 260.07170 161.3
[M+NH4]+ 279.11280 176.6
[M+K]+ 300.04214 161.1
[M+H-H2O]+ 244.07624 149.9
[M+HCOO]- 306.07718 175.7
[M+CH3COO]- 320.09283 169.3
[M+Na-2H]- 282.05365 163.5
[M]+ 261.07843 158.0
[M]- 261.07953 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.