CID 5275505

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

Structural Information

Molecular Formula
C23H28N4O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CN4CCNCC4
InChI
InChI=1S/C23H28N4O2/c1-23(2,3)17-6-4-16(5-7-17)22-26-19-14-18(8-9-20(19)29-22)25-21(28)15-27-12-10-24-11-13-27/h4-9,14,24H,10-13,15H2,1-3H3,(H,25,28)
InChIKey
ZOINFNACPQNPIN-UHFFFAOYSA-N
Compound name
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.22122 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22850 197.5
[M+Na]+ 415.21044 202.4
[M-H]- 391.21394 203.1
[M+NH4]+ 410.25504 204.7
[M+K]+ 431.18438 197.0
[M+H-H2O]+ 375.21848 186.8
[M+HCOO]- 437.21942 210.2
[M+CH3COO]- 451.23507 204.9
[M+Na-2H]- 413.19589 199.7
[M]+ 392.22067 195.4
[M]- 392.22177 195.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.