CID 2922086

N-[(5-chloro-8-hydroxy-7-quinolinyl)-(4-methoxyphenyl)methyl]acetamide

Structural Information

Molecular Formula
C19H17ClN2O3
SMILES
CC(=O)NC(C1=CC=C(C=C1)OC)C2=CC(=C3C=CC=NC3=C2O)Cl
InChI
InChI=1S/C19H17ClN2O3/c1-11(23)22-17(12-5-7-13(25-2)8-6-12)15-10-16(20)14-4-3-9-21-18(14)19(15)24/h3-10,17,24H,1-2H3,(H,22,23)
InChIKey
MTDGALZWYHDFPI-UHFFFAOYSA-N
Compound name
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

356.09277 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10005 180.9
[M+Na]+ 379.08199 189.2
[M-H]- 355.08549 186.1
[M+NH4]+ 374.12659 193.3
[M+K]+ 395.05593 183.4
[M+H-H2O]+ 339.09003 172.7
[M+HCOO]- 401.09097 195.7
[M+CH3COO]- 415.10662 214.8
[M+Na-2H]- 377.06744 184.1
[M]+ 356.09222 184.7
[M]- 356.09332 184.7
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