CID 2921549

Cambridge id 6983050

Structural Information

Molecular Formula
C20H19ClN2O3
SMILES
CCC(=O)NC(C1=CC=CC=C1OC)C2=CC(=C3C=CC=NC3=C2O)Cl
InChI
InChI=1S/C20H19ClN2O3/c1-3-17(24)23-18(13-7-4-5-9-16(13)26-2)14-11-15(21)12-8-6-10-22-19(12)20(14)25/h4-11,18,25H,3H2,1-2H3,(H,23,24)
InChIKey
HLJCTESVUQYBST-UHFFFAOYSA-N
Compound name
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

370.10843 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11571 185.5
[M+Na]+ 393.09765 193.3
[M-H]- 369.10115 190.5
[M+NH4]+ 388.14225 197.3
[M+K]+ 409.07159 187.4
[M+H-H2O]+ 353.10569 177.1
[M+HCOO]- 415.10663 199.9
[M+CH3COO]- 429.12228 217.7
[M+Na-2H]- 391.08310 188.1
[M]+ 370.10788 189.6
[M]- 370.10898 189.6
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