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 179.3
[M+Na]+ 345.15734 186.4
[M-H]- 321.16084 187.8
[M+NH4]+ 340.20194 193.9
[M+K]+ 361.13128 184.1
[M+H-H2O]+ 305.16538 170.4
[M+HCOO]- 367.16632 201.5
[M+CH3COO]- 381.18197 214.7
[M+Na-2H]- 343.14279 182.0
[M]+ 322.16757 184.7
[M]- 322.16867 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