CID 469848

Chembl55115

Structural Information

Molecular Formula
C27H36N4O5
SMILES
C1COCCN1C(=O)N(CC2=CC=CC=C2)CC(CN(CC3=CC=CC=C3)C(=O)N4CCOCC4)O
InChI
InChI=1S/C27H36N4O5/c32-25(21-30(19-23-7-3-1-4-8-23)26(33)28-11-15-35-16-12-28)22-31(20-24-9-5-2-6-10-24)27(34)29-13-17-36-18-14-29/h1-10,25,32H,11-22H2
InChIKey
UICSKOMMJYMBNI-UHFFFAOYSA-N
Compound name
N-benzyl-N-[3-[benzyl(morpholine-4-carbonyl)amino]-2-hydroxypropyl]morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

496.2686 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.27588 218.9
[M+Na]+ 519.25782 213.5
[M-H]- 495.26132 227.4
[M+NH4]+ 514.30242 217.3
[M+K]+ 535.23176 214.3
[M+H-H2O]+ 479.26586 204.9
[M+HCOO]- 541.26680 227.9
[M+CH3COO]- 555.28245 243.9
[M+Na-2H]- 517.24327 216.9
[M]+ 496.26805 213.3
[M]- 496.26915 213.3
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.