CID 130455228

2079094-19-0

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CC(=O)N[C@H](C1=N[C@H](CO1)CC2=CC=CC=C2)C(C)(C)C
InChI
InChI=1S/C17H24N2O2/c1-12(20)18-15(17(2,3)4)16-19-14(11-21-16)10-13-8-6-5-7-9-13/h5-9,14-15H,10-11H2,1-4H3,(H,18,20)/t14-,15+/m0/s1
InChIKey
QBWYBXQVVVSUFN-LSDHHAIUSA-N
Compound name
N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

288.18378 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 171.5
[M+Na]+ 311.17300 176.0
[M-H]- 287.17650 177.1
[M+NH4]+ 306.21760 185.8
[M+K]+ 327.14694 174.5
[M+H-H2O]+ 271.18104 163.8
[M+HCOO]- 333.18198 190.1
[M+CH3COO]- 347.19763 203.9
[M+Na-2H]- 309.15845 173.5
[M]+ 288.18323 172.0
[M]- 288.18433 172.0
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