CID 2927366

Oprea1_523564

Structural Information

Molecular Formula
C18H17ClN2O3
SMILES
CC(C)C(=O)NC(C1=CC=CO1)C2=CC(=C3C=CC=NC3=C2O)Cl
InChI
InChI=1S/C18H17ClN2O3/c1-10(2)18(23)21-15(14-6-4-8-24-14)12-9-13(19)11-5-3-7-20-16(11)17(12)22/h3-10,15,22H,1-2H3,(H,21,23)
InChIKey
WVFMBPBMXPRWHY-UHFFFAOYSA-N
Compound name
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

344.09277 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10005 179.7
[M+Na]+ 367.08199 188.2
[M-H]- 343.08549 186.1
[M+NH4]+ 362.12659 193.1
[M+K]+ 383.05593 183.9
[M+H-H2O]+ 327.09003 172.4
[M+HCOO]- 389.09097 195.1
[M+CH3COO]- 403.10662 211.1
[M+Na-2H]- 365.06744 181.6
[M]+ 344.09222 185.0
[M]- 344.09332 185.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.