CID 478040

Mls001182557

Structural Information

Molecular Formula
C14H16ClN3O
SMILES
CC1=NC2=C(C=C1)C(=C(C(=N2)N3CCOCC3)C)Cl
InChI
InChI=1S/C14H16ClN3O/c1-9-3-4-11-12(15)10(2)14(17-13(11)16-9)18-5-7-19-8-6-18/h3-4H,5-8H2,1-2H3
InChIKey
TVDARTMJRPPRIY-UHFFFAOYSA-N
Compound name
4-(4-chloro-3,7-dimethyl-1,8-naphthyridin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

277.09818 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10546 164.8
[M+Na]+ 300.08740 174.2
[M-H]- 276.09090 168.4
[M+NH4]+ 295.13200 177.5
[M+K]+ 316.06134 169.5
[M+H-H2O]+ 260.09544 154.9
[M+HCOO]- 322.09638 174.9
[M+CH3COO]- 336.11203 175.4
[M+Na-2H]- 298.07285 169.6
[M]+ 277.09763 165.2
[M]- 277.09873 165.2
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.