CID 2929688

Oprea1_280050

Structural Information

Molecular Formula
C21H21ClN2O2
SMILES
CCCCC(=O)NC(C1=CC=CC=C1)C2=CC(=C3C=CC=NC3=C2O)Cl
InChI
InChI=1S/C21H21ClN2O2/c1-2-3-11-18(25)24-19(14-8-5-4-6-9-14)16-13-17(22)15-10-7-12-23-20(15)21(16)26/h4-10,12-13,19,26H,2-3,11H2,1H3,(H,24,25)
InChIKey
QJPPDBAPLCTLOY-UHFFFAOYSA-N
Compound name
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

368.12915 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13643 187.0
[M+Na]+ 391.11837 193.7
[M-H]- 367.12187 191.4
[M+NH4]+ 386.16297 198.7
[M+K]+ 407.09231 186.6
[M+H-H2O]+ 351.12641 178.4
[M+HCOO]- 413.12735 201.0
[M+CH3COO]- 427.14300 217.2
[M+Na-2H]- 389.10382 189.7
[M]+ 368.12860 189.6
[M]- 368.12970 189.6
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