CID 673710

3-methyl-2-phenylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C17H13NO2
SMILES
CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C17H13NO2/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20)
InChIKey
ZSVACLAZDFXWQG-UHFFFAOYSA-N
Compound name
3-methyl-2-phenylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

209
Patents

263.09464 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10192 159.6
[M+Na]+ 286.08386 176.2
[M+NH4]+ 281.12846 168.4
[M+K]+ 302.05780 168.0
[M-H]- 262.08736 164.3
[M+Na-2H]- 284.06931 169.0
[M]+ 263.09409 163.5
[M]- 263.09519 163.5
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

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