CID 478042

Chembl2263575

Structural Information

Molecular Formula
C19H26N4O
SMILES
CC1=NC2=C(C=C1)C(=C(C(=N2)N3CCCCC3)C)N4CCOCC4
InChI
InChI=1S/C19H26N4O/c1-14-6-7-16-17(22-10-12-24-13-11-22)15(2)19(21-18(16)20-14)23-8-4-3-5-9-23/h6-7H,3-5,8-13H2,1-2H3
InChIKey
DDGGQNLFUWDHAO-UHFFFAOYSA-N
Compound name
4-(3,7-dimethyl-2-piperidin-1-yl-1,8-naphthyridin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.21066 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21794 185.1
[M+Na]+ 349.19988 189.8
[M-H]- 325.20338 189.0
[M+NH4]+ 344.24448 192.4
[M+K]+ 365.17382 184.8
[M+H-H2O]+ 309.20792 171.8
[M+HCOO]- 371.20886 193.6
[M+CH3COO]- 385.22451 192.2
[M+Na-2H]- 347.18533 186.5
[M]+ 326.21011 178.5
[M]- 326.21121 178.5
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.