CID 5276285

147249-43-2

Structural Information

Molecular Formula
C18H16ClNO2
SMILES
CC1=CC2=C(C=C1)N(C(=C(C2=O)Cl)OC)CC3=CC=CC=C3
InChI
InChI=1S/C18H16ClNO2/c1-12-8-9-15-14(10-12)17(21)16(19)18(22-2)20(15)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKey
BKWQAXKMNCYUNK-UHFFFAOYSA-N
Compound name
1-benzyl-3-chloro-2-methoxy-6-methylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.08694 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09422 170.5
[M+Na]+ 336.07616 182.3
[M-H]- 312.07966 177.4
[M+NH4]+ 331.12076 186.3
[M+K]+ 352.05010 175.7
[M+H-H2O]+ 296.08420 162.3
[M+HCOO]- 358.08514 187.8
[M+CH3COO]- 372.10079 182.9
[M+Na-2H]- 334.06161 175.3
[M]+ 313.08639 176.4
[M]- 313.08749 176.4
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.