CID 165759305

Tert-butyl n-[3-(2-cyanophenyl)-1,2-oxazol-5-yl]carbamate

Structural Information

Molecular Formula
C15H15N3O3
SMILES
CC(C)(C)OC(=O)NC1=CC(=NO1)C2=CC=CC=C2C#N
InChI
InChI=1S/C15H15N3O3/c1-15(2,3)20-14(19)17-13-8-12(18-21-13)11-7-5-4-6-10(11)9-16/h4-8H,1-3H3,(H,17,19)
InChIKey
PSCRUOUDTHJKHH-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(2-cyanophenyl)-1,2-oxazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 169.7
[M+Na]+ 308.10055 178.8
[M-H]- 284.10405 174.3
[M+NH4]+ 303.14515 182.4
[M+K]+ 324.07449 176.4
[M+H-H2O]+ 268.10859 154.9
[M+HCOO]- 330.10953 187.5
[M+CH3COO]- 344.12518 210.9
[M+Na-2H]- 306.08600 173.1
[M]+ 285.11078 167.2
[M]- 285.11188 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.