CID 478027

Chembl2263581

Structural Information

Molecular Formula
C20H27N5O3
SMILES
C1COCCN1C2=NC3=C(C=C2)C(=CC(=N3)N4CCOCC4)N5CCOCC5
InChI
InChI=1S/C20H27N5O3/c1-2-18(24-5-11-27-12-6-24)21-20-16(1)17(23-3-9-26-10-4-23)15-19(22-20)25-7-13-28-14-8-25/h1-2,15H,3-14H2
InChIKey
PEUNUYWERDDEMW-UHFFFAOYSA-N
Compound name
4-(4,7-dimorpholin-4-yl-1,8-naphthyridin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.2114 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.21868 197.6
[M+Na]+ 408.20062 199.2
[M-H]- 384.20412 202.7
[M+NH4]+ 403.24522 196.8
[M+K]+ 424.17456 196.6
[M+H-H2O]+ 368.20866 181.5
[M+HCOO]- 430.20960 199.5
[M+CH3COO]- 444.22525 201.8
[M+Na-2H]- 406.18607 198.0
[M]+ 385.21085 188.3
[M]- 385.21195 188.3
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.