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]+ 286.118606 169.7
[M+Na]+ 308.100548 178.8
[M-H]- 284.104054 174.3
[M+NH4]+ 303.145153 182.4
[M+K]+ 324.074488 176.4
[M+H-H2O]+ 268.108590 154.9
[M+HCOO]- 330.109531 187.5
[M+CH3COO]- 344.125181 210.9
[M+Na-2H]- 306.085996 173.1
[M]+ 285.11078142 167.2
[M]- 285.11187858 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.