CID 4178838

36720-97-5

Structural Information

Molecular Formula
C17H24N2O3
SMILES
CC(C)(C)C1=CC(=CC(=C1)C2CN(C(=O)O2)N=O)C(C)(C)C
InChI
InChI=1S/C17H24N2O3/c1-16(2,3)12-7-11(8-13(9-12)17(4,5)6)14-10-19(18-21)15(20)22-14/h7-9,14H,10H2,1-6H3
InChIKey
WFVIFBXUBCRZDA-UHFFFAOYSA-N
Compound name
5-(3,5-ditert-butylphenyl)-3-nitroso-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

304.17868 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18596 172.2
[M+Na]+ 327.16790 182.5
[M+NH4]+ 322.21250 178.1
[M+K]+ 343.14184 180.4
[M-H]- 303.17140 175.0
[M+Na-2H]- 325.15335 176.4
[M]+ 304.17813 174.4
[M]- 304.17923 174.4
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