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]+ 369.172136 187.7
[M+Na]+ 391.154078 195.0
[M-H]- 367.157584 193.7
[M+NH4]+ 386.198683 196.6
[M+K]+ 407.128018 189.7
[M+H-H2O]+ 351.162120 175.5
[M+HCOO]- 413.163061 203.4
[M+CH3COO]- 427.178711 196.6
[M+Na-2H]- 389.139526 189.2
[M]+ 368.16431142 186.3
[M]- 368.16540858 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.