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]+ 407.24416 203.4
[M+Na]+ 429.22610 209.1
[M-H]- 405.22960 210.4
[M+NH4]+ 424.27070 210.9
[M+K]+ 445.20004 204.3
[M+H-H2O]+ 389.23414 192.3
[M+HCOO]- 451.23508 217.1
[M+CH3COO]- 465.25073 211.2
[M+Na-2H]- 427.21155 204.5
[M]+ 406.23633 203.6
[M]- 406.23743 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.