CID 478047

Chembl2263576

Structural Information

Molecular Formula
C25H30N4O
SMILES
CC1=NC2=NC(=C(C(=C2C=C1)N3CCOCC3)CC4=CC=CC=C4)N5CCCCC5
InChI
InChI=1S/C25H30N4O/c1-19-10-11-21-23(28-14-16-30-17-15-28)22(18-20-8-4-2-5-9-20)25(27-24(21)26-19)29-12-6-3-7-13-29/h2,4-5,8-11H,3,6-7,12-18H2,1H3
InChIKey
WLDCZDUCQKGFSM-UHFFFAOYSA-N
Compound name
4-(3-benzyl-7-methyl-2-piperidin-1-yl-1,8-naphthyridin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.24197 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.24925 204.6
[M+Na]+ 425.23119 207.6
[M-H]- 401.23469 210.5
[M+NH4]+ 420.27579 207.7
[M+K]+ 441.20513 200.6
[M+H-H2O]+ 385.23923 188.8
[M+HCOO]- 447.24017 211.9
[M+CH3COO]- 461.25582 209.6
[M+Na-2H]- 423.21664 204.9
[M]+ 402.24142 196.8
[M]- 402.24252 196.8
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.