CID 478024

4-(4,7-dichloro-1,8-naphthyridin-2-yl)morpholine

Structural Information

Molecular Formula
C12H11Cl2N3O
SMILES
C1COCCN1C2=NC3=C(C=CC(=N3)Cl)C(=C2)Cl
InChI
InChI=1S/C12H11Cl2N3O/c13-9-7-11(17-3-5-18-6-4-17)16-12-8(9)1-2-10(14)15-12/h1-2,7H,3-6H2
InChIKey
ZXTJRVWQMAJGRW-UHFFFAOYSA-N
Compound name
4-(4,7-dichloro-1,8-naphthyridin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.02792 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.03520 159.9
[M+Na]+ 306.01714 169.3
[M-H]- 282.02064 162.4
[M+NH4]+ 301.06174 172.3
[M+K]+ 321.99108 164.2
[M+H-H2O]+ 266.02518 150.3
[M+HCOO]- 328.02612 165.4
[M+CH3COO]- 342.04177 170.1
[M+Na-2H]- 304.00259 165.7
[M]+ 283.02737 160.2
[M]- 283.02847 160.2
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

No patent data available for this compound.