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

12
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

literature stripe

Patent stripe

patents stripe