CID 18517002

314268-43-4

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CC(C)(C)OC(=O)NC(C)(C)C1=CC=C(C=C1)C2=CC=NO2
InChI
InChI=1S/C17H22N2O3/c1-16(2,3)21-15(20)19-17(4,5)13-8-6-12(7-9-13)14-10-11-18-22-14/h6-11H,1-5H3,(H,19,20)
InChIKey
CTCSPPPTIGUELG-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

302.16306 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 171.7
[M+Na]+ 325.15228 181.8
[M+NH4]+ 320.19688 177.5
[M+K]+ 341.12622 179.8
[M-H]- 301.15578 174.3
[M+Na-2H]- 323.13773 177.4
[M]+ 302.16251 173.8
[M]- 302.16361 173.8
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

patents stripe