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 195.5
[M+Na]+ 400.25707 199.1
[M-H]- 376.26057 203.3
[M+NH4]+ 395.30167 204.7
[M+K]+ 416.23101 200.7
[M+H-H2O]+ 360.26511 189.2
[M+HCOO]- 422.26605 206.3
[M+CH3COO]- 436.28170 221.2
[M+Na-2H]- 398.24252 188.6
[M]+ 377.26730 199.1
[M]- 377.26840 199.1
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.