CID 2921488

Oprea1_522580

Structural Information

Molecular Formula
C19H16Cl2N2O2
SMILES
CCC(=O)NC(C1=CC=C(C=C1)Cl)C2=CC(=C3C=CC=NC3=C2O)Cl
InChI
InChI=1S/C19H16Cl2N2O2/c1-2-16(24)23-17(11-5-7-12(20)8-6-11)14-10-15(21)13-4-3-9-22-18(13)19(14)25/h3-10,17,25H,2H2,1H3,(H,23,24)
InChIKey
LINXHMFDDAUTFG-UHFFFAOYSA-N
Compound name
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

374.05887 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.06615 182.7
[M+Na]+ 397.04809 191.6
[M-H]- 373.05159 187.1
[M+NH4]+ 392.09269 195.1
[M+K]+ 413.02203 184.1
[M+H-H2O]+ 357.05613 175.5
[M+HCOO]- 419.05707 192.4
[M+CH3COO]- 433.07272 192.3
[M+Na-2H]- 395.03354 185.1
[M]+ 374.05832 186.6
[M]- 374.05942 186.6
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