CID 90489662

Methyl 6-benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate

Structural Information

Molecular Formula
C17H17ClN2O2
SMILES
COC(=O)C1=CC(=NC2=C1CN(CC2)CC3=CC=CC=C3)Cl
InChI
InChI=1S/C17H17ClN2O2/c1-22-17(21)13-9-16(18)19-15-7-8-20(11-14(13)15)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10-11H2,1H3
InChIKey
IWLMCTGUSMQCNL-UHFFFAOYSA-N
Compound name
methyl 6-benzyl-2-chloro-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.09787 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10515 172.1
[M+Na]+ 339.08709 180.1
[M-H]- 315.09059 176.3
[M+NH4]+ 334.13169 185.5
[M+K]+ 355.06103 174.3
[M+H-H2O]+ 299.09513 162.7
[M+HCOO]- 361.09607 184.5
[M+CH3COO]- 375.11172 182.3
[M+Na-2H]- 337.07254 175.9
[M]+ 316.09732 173.8
[M]- 316.09842 173.8
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.