CID 459641

N,n-dimethylquinoline-3-carboxamide

Structural Information

Molecular Formula
C12H12N2O
SMILES
CN(C)C(=O)C1=CC2=CC=CC=C2N=C1
InChI
InChI=1S/C12H12N2O/c1-14(2)12(15)10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,1-2H3
InChIKey
SVKREWHUIAGKCV-UHFFFAOYSA-N
Compound name
N,N-dimethylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

200.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 142.4
[M+Na]+ 223.08418 150.2
[M-H]- 199.08768 147.1
[M+NH4]+ 218.12878 161.7
[M+K]+ 239.05812 148.4
[M+H-H2O]+ 183.09222 134.9
[M+HCOO]- 245.09316 165.5
[M+CH3COO]- 259.10881 191.2
[M+Na-2H]- 221.06963 150.1
[M]+ 200.09441 143.6
[M]- 200.09551 143.6
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

patents stripe