CID 5275504

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide

Structural Information

Molecular Formula
C24H30N4O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CN4CCN(CC4)C
InChI
InChI=1S/C24H30N4O2/c1-24(2,3)18-7-5-17(6-8-18)23-26-20-15-19(9-10-21(20)30-23)25-22(29)16-28-13-11-27(4)12-14-28/h5-10,15H,11-14,16H2,1-4H3,(H,25,29)
InChIKey
PGNKWSPNHZHKMY-UHFFFAOYSA-N
Compound name
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.23688 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.244156 203.4
[M+Na]+ 429.226098 209.1
[M-H]- 405.229604 210.4
[M+NH4]+ 424.270703 210.9
[M+K]+ 445.200038 204.3
[M+H-H2O]+ 389.234140 192.3
[M+HCOO]- 451.235081 217.1
[M+CH3COO]- 465.250731 211.2
[M+Na-2H]- 427.211546 204.5
[M]+ 406.23633142 203.6
[M]- 406.23742858 203.6
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.