CID 131801215

[3-(hydroxymethyl)-1-{[4-({1-[5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]azetidin-3-yl}oxy)phenyl]methyl}azetidin-3-yl]methanol

Structural Information

Molecular Formula
C25H28N4O6
SMILES
COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)N3CC(C3)OC4=CC=C(C=C4)CN5CC(C5)(CO)CO
InChI
InChI=1S/C25H28N4O6/c1-33-19-8-4-18(5-9-19)22-26-27-23(35-22)24(32)29-11-21(12-29)34-20-6-2-17(3-7-20)10-28-13-25(14-28,15-30)16-31/h2-9,21,30-31H,10-16H2,1H3
InChIKey
OTFLAJNTHVWZOG-UHFFFAOYSA-N
Compound name
[3-[4-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.2009 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.20818 210.0
[M+Na]+ 503.19012 212.9
[M+NH4]+ 498.23472 206.8
[M+K]+ 519.16406 212.2
[M-H]- 479.19362 209.1
[M+Na-2H]- 501.17557 211.4
[M]+ 480.20035 207.9
[M]- 480.20145 207.9
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.