CID 459639

3-(diethylaminomethyl)-7-methoxy-2-methyl-4-quinolinol

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CCN(CC)CC1=C(NC2=C(C1=O)C=CC(=C2)OC)C
InChI
InChI=1S/C16H22N2O2/c1-5-18(6-2)10-14-11(3)17-15-9-12(20-4)7-8-13(15)16(14)19/h7-9H,5-6,10H2,1-4H3,(H,17,19)
InChIKey
XDHNJJJJNJUDBR-UHFFFAOYSA-N
Compound name
3-(diethylaminomethyl)-7-methoxy-2-methyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.175396 164.5
[M+Na]+ 297.157338 173.0
[M-H]- 273.160844 168.0
[M+NH4]+ 292.201943 181.0
[M+K]+ 313.131278 169.5
[M+H-H2O]+ 257.165380 156.8
[M+HCOO]- 319.166321 185.9
[M+CH3COO]- 333.181971 206.3
[M+Na-2H]- 295.142786 168.6
[M]+ 274.16757142 168.6
[M]- 274.16866858 168.6
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.