CID 11821563

131833-92-6

Structural Information

Molecular Formula
C15H26N2O2
SMILES
CC(C)[C@H]1COC(=N1)C(C)(C)C2=N[C@H](CO2)C(C)C
InChI
InChI=1S/C15H26N2O2/c1-9(2)11-7-18-13(16-11)15(5,6)14-17-12(8-19-14)10(3)4/h9-12H,7-8H2,1-6H3/t11-,12-/m1/s1
InChIKey
XFZUPCITFHSROM-VXGBXAGGSA-N
Compound name
(4S)-4-propan-2-yl-2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

266.19943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.20671 166.1
[M+Na]+ 289.18865 171.8
[M-H]- 265.19215 171.3
[M+NH4]+ 284.23325 181.0
[M+K]+ 305.16259 172.7
[M+H-H2O]+ 249.19669 159.8
[M+HCOO]- 311.19763 181.1
[M+CH3COO]- 325.21328 199.9
[M+Na-2H]- 287.17410 165.2
[M]+ 266.19888 168.4
[M]- 266.19998 168.4
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