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]+ 275.17540 164.5
[M+Na]+ 297.15734 173.0
[M-H]- 273.16084 168.0
[M+NH4]+ 292.20194 181.0
[M+K]+ 313.13128 169.5
[M+H-H2O]+ 257.16538 156.8
[M+HCOO]- 319.16632 185.9
[M+CH3COO]- 333.18197 206.3
[M+Na-2H]- 295.14279 168.6
[M]+ 274.16757 168.6
[M]- 274.16867 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.