CID 5275495

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

Structural Information

Molecular Formula
C22H26N4O2
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CN4CCN(CC4)C
InChI
InChI=1S/C22H26N4O2/c1-3-16-4-6-17(7-5-16)22-24-19-14-18(8-9-20(19)28-22)23-21(27)15-26-12-10-25(2)11-13-26/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,27)
InChIKey
GFSZZYNFMMNAHO-UHFFFAOYSA-N
Compound name
N-[2-(4-ethylphenyl)-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

378.20557 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 193.6
[M+Na]+ 401.19479 199.9
[M-H]- 377.19829 200.6
[M+NH4]+ 396.23939 202.2
[M+K]+ 417.16873 194.8
[M+H-H2O]+ 361.20283 182.0
[M+HCOO]- 423.20377 209.7
[M+CH3COO]- 437.21942 202.2
[M+Na-2H]- 399.18024 194.7
[M]+ 378.20502 193.8
[M]- 378.20612 193.8
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.