CID 688208

(s,s)-(-)-2,2'-isopropylidenebis(4-tert-butyl-2-oxazoline)

Structural Information

Molecular Formula
C17H30N2O2
SMILES
CC(C)(C)[C@H]1COC(=N1)C(C)(C)C2=N[C@H](CO2)C(C)(C)C
InChI
InChI=1S/C17H30N2O2/c1-15(2,3)11-9-20-13(18-11)17(7,8)14-19-12(10-21-14)16(4,5)6/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1
InChIKey
DPMGLJUMNRDNMX-VXGBXAGGSA-N
Compound name
(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-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

290
Patents

294.23074 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.23802 172.5
[M+Na]+ 317.21996 178.8
[M-H]- 293.22346 178.0
[M+NH4]+ 312.26456 186.9
[M+K]+ 333.19390 179.6
[M+H-H2O]+ 277.22800 167.4
[M+HCOO]- 339.22894 185.8
[M+CH3COO]- 353.24459 204.0
[M+Na-2H]- 315.20541 175.6
[M]+ 294.23019 175.6
[M]- 294.23129 175.6
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

patents stripe