CID 5275501

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

Structural Information

Molecular Formula
C20H21FN4O2
SMILES
CN1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H21FN4O2/c1-24-8-10-25(11-9-24)13-19(26)22-16-6-7-18-17(12-16)23-20(27-18)14-2-4-15(21)5-3-14/h2-7,12H,8-11,13H2,1H3,(H,22,26)
InChIKey
JDPMABUJJNIWLI-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)-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

368.16486 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.17214 187.7
[M+Na]+ 391.15408 195.0
[M-H]- 367.15758 193.7
[M+NH4]+ 386.19868 196.6
[M+K]+ 407.12802 189.7
[M+H-H2O]+ 351.16212 175.5
[M+HCOO]- 413.16306 203.4
[M+CH3COO]- 427.17871 196.6
[M+Na-2H]- 389.13953 189.2
[M]+ 368.16431 186.3
[M]- 368.16541 186.3
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.