CID 3039777

51234-83-4

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CCN(CC)C(=O)C(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C20H22N2O2/c1-4-22(5-2)20(23)14(3)16-11-12-18-17(13-16)21-19(24-18)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3
InChIKey
ORYGIUBWPDSUTI-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 176.9
[M+Na]+ 345.15734 190.7
[M+NH4]+ 340.20194 184.7
[M+K]+ 361.13128 185.6
[M-H]- 321.16084 182.8
[M+Na-2H]- 343.14279 184.3
[M]+ 322.16757 180.6
[M]- 322.16867 180.6
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.