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 172.4
[M+Na]+ 325.15228 178.5
[M-H]- 301.15578 178.7
[M+NH4]+ 320.19688 186.4
[M+K]+ 341.12622 177.6
[M+H-H2O]+ 285.16032 165.2
[M+HCOO]- 347.16126 192.1
[M+CH3COO]- 361.17691 204.6
[M+Na-2H]- 323.13773 177.8
[M]+ 302.16251 175.8
[M]- 302.16361 175.8
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