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

4
Patents

322.16812 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.175396 179.3
[M+Na]+ 345.157338 186.4
[M-H]- 321.160844 187.8
[M+NH4]+ 340.201943 193.9
[M+K]+ 361.131278 184.1
[M+H-H2O]+ 305.165380 170.4
[M+HCOO]- 367.166321 201.5
[M+CH3COO]- 381.181971 214.7
[M+Na-2H]- 343.142786 182.0
[M]+ 322.16757142 184.7
[M]- 322.16866858 184.7
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