CID 2922048

Mls001212967

Structural Information

Molecular Formula
C21H20Cl2N2O2
SMILES
CCCCC(=O)NC(C1=C(C=C(C=C1)Cl)Cl)C2=C(C3=C(C=CC=N3)C=C2)O
InChI
InChI=1S/C21H20Cl2N2O2/c1-2-3-6-18(26)25-20(15-10-8-14(22)12-17(15)23)16-9-7-13-5-4-11-24-19(13)21(16)27/h4-5,7-12,20,27H,2-3,6H2,1H3,(H,25,26)
InChIKey
RBZNNYFJAHVKOM-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

9
Patents

402.09018 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.09746 191.8
[M+Na]+ 425.07940 199.7
[M-H]- 401.08290 195.7
[M+NH4]+ 420.12400 203.0
[M+K]+ 441.05334 191.8
[M+H-H2O]+ 385.08744 184.0
[M+HCOO]- 447.08838 200.7
[M+CH3COO]- 461.10403 222.3
[M+Na-2H]- 423.06485 193.1
[M]+ 402.08963 196.3
[M]- 402.09073 196.3
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