CID 11485737

1,2,2-tris[(s)-4-isopropyl-4,5-dihydro-2-oxazolyl]propane

Structural Information

Molecular Formula
C21H35N3O3
SMILES
CC(C)[C@H]1COC(=N1)CC(C)(C2=N[C@H](CO2)C(C)C)C3=N[C@H](CO3)C(C)C
InChI
InChI=1S/C21H35N3O3/c1-12(2)15-9-25-18(22-15)8-21(7,19-23-16(10-26-19)13(3)4)20-24-17(11-27-20)14(5)6/h12-17H,8-11H2,1-7H3/t15-,16-,17-/m1/s1
InChIKey
ZLJMXDGDZUSSDE-BRWVUGGUSA-N
Compound name
(4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.26785 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.27513 189.5
[M+Na]+ 400.25707 197.0
[M+NH4]+ 395.30167 194.0
[M+K]+ 416.23101 201.2
[M-H]- 376.26057 193.9
[M+Na-2H]- 398.24252 190.1
[M]+ 377.26730 191.6
[M]- 377.26840 191.6
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.