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 165.3
[M+Na]+ 304.10564 177.3
[M-H]- 280.10914 169.4
[M+NH4]+ 299.15024 180.0
[M+K]+ 320.07958 171.8
[M+H-H2O]+ 264.11368 156.7
[M+HCOO]- 326.11462 184.9
[M+CH3COO]- 340.13027 177.5
[M+Na-2H]- 302.09109 168.2
[M]+ 281.11587 169.2
[M]- 281.11697 169.2
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.