CID 2920571

Tcmdc-123650

Structural Information

Molecular Formula
C17H15ClN2O3
SMILES
CCC(=O)NC(C1=CC=CO1)C2=CC(=C3C=CC=NC3=C2O)Cl
InChI
InChI=1S/C17H15ClN2O3/c1-2-14(21)20-15(13-6-4-8-23-13)11-9-12(18)10-5-3-7-19-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,20,21)
InChIKey
UPLAQKIMKDWICQ-UHFFFAOYSA-N
Compound name
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

20
Patents

330.07712 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08440 175.1
[M+Na]+ 353.06634 184.4
[M-H]- 329.06984 181.5
[M+NH4]+ 348.11094 189.1
[M+K]+ 369.04028 179.7
[M+H-H2O]+ 313.07438 167.8
[M+HCOO]- 375.07532 191.9
[M+CH3COO]- 389.09097 186.5
[M+Na-2H]- 351.05179 178.6
[M]+ 330.07657 180.6
[M]- 330.07767 180.6
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