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

12
Patents

302.16306 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.170336 172.4
[M+Na]+ 325.152278 178.5
[M-H]- 301.155784 178.7
[M+NH4]+ 320.196883 186.4
[M+K]+ 341.126218 177.6
[M+H-H2O]+ 285.160320 165.2
[M+HCOO]- 347.161261 192.1
[M+CH3COO]- 361.176911 204.6
[M+Na-2H]- 323.137726 177.8
[M]+ 302.16251142 175.8
[M]- 302.16360858 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