CID 459634

7-chloro-3-(diethylaminomethyl)-4-quinolinol

Structural Information

Molecular Formula
C14H17ClN2O
SMILES
CCN(CC)CC1=CNC2=C(C1=O)C=CC(=C2)Cl
InChI
InChI=1S/C14H17ClN2O/c1-3-17(4-2)9-10-8-16-13-7-11(15)5-6-12(13)14(10)18/h5-8H,3-4,9H2,1-2H3,(H,16,18)
InChIKey
AHIWBISOAGQIKI-UHFFFAOYSA-N
Compound name
7-chloro-3-(diethylaminomethyl)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.10294 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11022 158.5
[M+Na]+ 287.09216 167.8
[M-H]- 263.09566 161.7
[M+NH4]+ 282.13676 176.0
[M+K]+ 303.06610 162.3
[M+H-H2O]+ 247.10020 151.8
[M+HCOO]- 309.10114 175.7
[M+CH3COO]- 323.11679 200.6
[M+Na-2H]- 285.07761 163.8
[M]+ 264.10239 162.1
[M]- 264.10349 162.1
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.