CID 2929156

Chembl608561

Structural Information

Molecular Formula
C24H28ClN3O2
SMILES
CCCC(=O)NC(C1=CC=C(C=C1)N(CC)CC)C2=CC(=C3C=CC=NC3=C2O)Cl
InChI
InChI=1S/C24H28ClN3O2/c1-4-8-21(29)27-22(16-10-12-17(13-11-16)28(5-2)6-3)19-15-20(25)18-9-7-14-26-23(18)24(19)30/h7,9-15,22,30H,4-6,8H2,1-3H3,(H,27,29)
InChIKey
WHQCGANOTXJOPB-UHFFFAOYSA-N
Compound name
N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

425.187 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.19428 204.8
[M+Na]+ 448.17622 210.1
[M-H]- 424.17972 210.2
[M+NH4]+ 443.22082 214.6
[M+K]+ 464.15016 204.1
[M+H-H2O]+ 408.18426 195.3
[M+HCOO]- 470.18520 219.1
[M+CH3COO]- 484.20085 235.5
[M+Na-2H]- 446.16167 204.9
[M]+ 425.18645 209.4
[M]- 425.18755 209.4
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