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]+ 278.105456 164.8
[M+Na]+ 300.087398 174.2
[M-H]- 276.090904 168.4
[M+NH4]+ 295.132003 177.5
[M+K]+ 316.061338 169.5
[M+H-H2O]+ 260.095440 154.9
[M+HCOO]- 322.096381 174.9
[M+CH3COO]- 336.112031 175.4
[M+Na-2H]- 298.072846 169.6
[M]+ 277.09763142 165.2
[M]- 277.09872858 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.