CID 2928523

Oprea1_266064

Structural Information

Molecular Formula
C21H20Cl2N2O2
SMILES
CC(C)CC(=O)NC(C1=C(C=C(C=C1)Cl)Cl)C2=C(C3=C(C=CC=N3)C=C2)O
InChI
InChI=1S/C21H20Cl2N2O2/c1-12(2)10-18(26)25-20(15-8-6-14(22)11-17(15)23)16-7-5-13-4-3-9-24-19(13)21(16)27/h3-9,11-12,20,27H,10H2,1-2H3,(H,25,26)
InChIKey
RYNCRISZMOBICO-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

402.09018 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.09746 190.8
[M+Na]+ 425.07940 198.4
[M-H]- 401.08290 194.9
[M+NH4]+ 420.12400 201.9
[M+K]+ 441.05334 191.2
[M+H-H2O]+ 385.08744 183.4
[M+HCOO]- 447.08838 198.9
[M+CH3COO]- 461.10403 223.3
[M+Na-2H]- 423.06485 191.1
[M]+ 402.08963 194.9
[M]- 402.09073 194.9
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