CID 2922155

Gnf-pf-5554

Structural Information

Molecular Formula
C20H20ClN3O2
SMILES
CC(=O)NC(C1=CC=C(C=C1)N(C)C)C2=CC(=C3C=CC=NC3=C2O)Cl
InChI
InChI=1S/C20H20ClN3O2/c1-12(25)23-18(13-6-8-14(9-7-13)24(2)3)16-11-17(21)15-5-4-10-22-19(15)20(16)26/h4-11,18,26H,1-3H3,(H,23,25)
InChIKey
RWZYBQBQFVZGAD-UHFFFAOYSA-N
Compound name
N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

3
Patents

369.1244 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13168 186.6
[M+Na]+ 392.11362 193.8
[M-H]- 368.11712 192.9
[M+NH4]+ 387.15822 198.8
[M+K]+ 408.08756 188.6
[M+H-H2O]+ 352.12166 178.0
[M+HCOO]- 414.12260 202.4
[M+CH3COO]- 428.13825 223.9
[M+Na-2H]- 390.09907 188.9
[M]+ 369.12385 189.9
[M]- 369.12495 189.9
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