CID 5275496

1-piperazineacetamide, n-[2-(4-ethylphenyl)-5-benzoxazolyl]-

Structural Information

Molecular Formula
C21H24N4O2
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CN4CCNCC4
InChI
InChI=1S/C21H24N4O2/c1-2-15-3-5-16(6-4-15)21-24-18-13-17(7-8-19(18)27-21)23-20(26)14-25-11-9-22-10-12-25/h3-8,13,22H,2,9-12,14H2,1H3,(H,23,26)
InChIKey
ORYSPAAGAYIJCZ-UHFFFAOYSA-N
Compound name
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.1899 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 187.6
[M+Na]+ 387.17912 193.0
[M-H]- 363.18262 193.1
[M+NH4]+ 382.22372 195.7
[M+K]+ 403.15306 187.3
[M+H-H2O]+ 347.18716 176.4
[M+HCOO]- 409.18810 202.6
[M+CH3COO]- 423.20375 195.7
[M+Na-2H]- 385.16457 189.7
[M]+ 364.18935 185.3
[M]- 364.19045 185.3
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.