CID 154878838

Tert-butyl n-[4-(4-bromophenyl)-1,2-oxazol-3-yl]carbamate

Structural Information

Molecular Formula
C14H15BrN2O3
SMILES
CC(C)(C)OC(=O)NC1=NOC=C1C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H15BrN2O3/c1-14(2,3)20-13(18)16-12-11(8-19-17-12)9-4-6-10(15)7-5-9/h4-8H,1-3H3,(H,16,17,18)
InChIKey
YPTZBNNVYZZTMQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(4-bromophenyl)-1,2-oxazol-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0266 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.03388 171.6
[M+Na]+ 361.01582 173.6
[M+NH4]+ 356.06042 174.5
[M+K]+ 376.98976 176.4
[M-H]- 337.01932 173.1
[M+Na-2H]- 359.00127 174.0
[M]+ 338.02605 171.1
[M]- 338.02715 171.1
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.