CID 61781072

7,8-dimethyl-2-(1-methyl-1h-pyrazol-4-yl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CN(N=C3)C)C(=O)O)C
InChI
InChI=1S/C16H15N3O2/c1-9-4-5-12-13(16(20)21)6-14(18-15(12)10(9)2)11-7-17-19(3)8-11/h4-8H,1-3H3,(H,20,21)
InChIKey
YKBUKZAOYXVVJN-UHFFFAOYSA-N
Compound name
7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 165.2
[M+Na]+ 304.10564 181.0
[M+NH4]+ 299.15024 172.1
[M+K]+ 320.07958 176.2
[M-H]- 280.10914 167.6
[M+Na-2H]- 302.09109 172.2
[M]+ 281.11587 168.2
[M]- 281.11697 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.