CID 10880944

160191-65-1

Structural Information

Molecular Formula
C17H30N2O2
SMILES
CCC(CC)(C1=N[C@H](CO1)C(C)C)C2=N[C@H](CO2)C(C)C
InChI
InChI=1S/C17H30N2O2/c1-7-17(8-2,15-18-13(9-20-15)11(3)4)16-19-14(10-21-16)12(5)6/h11-14H,7-10H2,1-6H3/t13-,14-/m1/s1
InChIKey
PIJFQTUSLZLNOP-ZIAGYGMSSA-N
Compound name
(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pentan-3-yl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

294.23074 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.238016 175.5
[M+Na]+ 317.219958 180.3
[M-H]- 293.223464 180.3
[M+NH4]+ 312.264563 189.3
[M+K]+ 333.193898 180.8
[M+H-H2O]+ 277.228000 168.8
[M+HCOO]- 339.228941 189.9
[M+CH3COO]- 353.244591 205.8
[M+Na-2H]- 315.205406 173.5
[M]+ 294.23019142 178.5
[M]- 294.23128858 178.5
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

patents stripe