CID 478028

Chembl2263582

Structural Information

Molecular Formula
C22H31N5O
SMILES
C1CCN(CC1)C2=NC3=C(C=C2)C(=CC(=N3)N4CCOCC4)N5CCCCC5
InChI
InChI=1S/C22H31N5O/c1-3-9-25(10-4-1)19-17-21(27-13-15-28-16-14-27)24-22-18(19)7-8-20(23-22)26-11-5-2-6-12-26/h7-8,17H,1-6,9-16H2
InChIKey
UCXXVIORGHVXNS-UHFFFAOYSA-N
Compound name
4-[4,7-di(piperidin-1-yl)-1,8-naphthyridin-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.25287 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.26015 198.6
[M+Na]+ 404.24209 199.0
[M-H]- 380.24559 202.1
[M+NH4]+ 399.28669 200.7
[M+K]+ 420.21603 192.9
[M+H-H2O]+ 364.25013 182.1
[M+HCOO]- 426.25107 201.4
[M+CH3COO]- 440.26672 202.1
[M+Na-2H]- 402.22754 197.9
[M]+ 381.25232 185.9
[M]- 381.25342 185.9
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.