CID 716637

Ml-3h2

Structural Information

Molecular Formula
C14H17ClN2O
SMILES
CCN(CC)CC1=CC(=C2C=CC=NC2=C1O)Cl
InChI
InChI=1S/C14H17ClN2O/c1-3-17(4-2)9-10-8-12(15)11-6-5-7-16-13(11)14(10)18/h5-8,18H,3-4,9H2,1-2H3
InChIKey
QDFFXEIFWNNJJU-UHFFFAOYSA-N
Compound name
5-chloro-7-(diethylaminomethyl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

264.10294 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11022 159.2
[M+Na]+ 287.09216 168.3
[M-H]- 263.09566 162.4
[M+NH4]+ 282.13676 176.7
[M+K]+ 303.06610 163.4
[M+H-H2O]+ 247.10020 152.5
[M+HCOO]- 309.10114 176.3
[M+CH3COO]- 323.11679 201.3
[M+Na-2H]- 285.07761 164.5
[M]+ 264.10239 163.5
[M]- 264.10349 163.5
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.