CID 394065

Nsc697183

Structural Information

Molecular Formula
C20H32N6O4
SMILES
C1COCCN1C2=NN=C(O2)CCCCCCCCC3=NN=C(O3)N4CCOCC4
InChI
InChI=1S/C20H32N6O4/c1(3-5-7-17-21-23-19(29-17)25-9-13-27-14-10-25)2-4-6-8-18-22-24-20(30-18)26-11-15-28-16-12-26/h1-16H2
InChIKey
UUMDYLZGADOCMC-UHFFFAOYSA-N
Compound name
4-[5-[8-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazol-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.2485 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.25578 200.2
[M+Na]+ 443.23772 203.2
[M-H]- 419.24122 205.6
[M+NH4]+ 438.28232 198.9
[M+K]+ 459.21166 202.7
[M+H-H2O]+ 403.24576 187.4
[M+HCOO]- 465.24670 207.9
[M+CH3COO]- 479.26235 205.9
[M+Na-2H]- 441.22317 196.5
[M]+ 420.24795 201.6
[M]- 420.24905 201.6
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.