CID 22180213

301666-66-0

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
C1CN(C(=O)C2=C1C=CC(=N2)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C15H13ClN2O/c16-13-7-6-12-8-9-18(15(19)14(12)17-13)10-11-4-2-1-3-5-11/h1-7H,8-10H2
InChIKey
MHZYPAHWCCVKDS-UHFFFAOYSA-N
Compound name
7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

272.07166 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07894 160.4
[M+Na]+ 295.06088 169.6
[M-H]- 271.06438 164.7
[M+NH4]+ 290.10548 175.6
[M+K]+ 311.03482 163.1
[M+H-H2O]+ 255.06892 151.3
[M+HCOO]- 317.06986 174.2
[M+CH3COO]- 331.08551 171.6
[M+Na-2H]- 293.04633 166.2
[M]+ 272.07111 160.5
[M]- 272.07221 160.5
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

patents stripe