CID 53476472

1-(4-(trifluoromethyl)-2-(piperidin-1-yl)benzyl)-3-(3,4-dihydro-3-oxo-2h-benzo[b][1,4]oxazin-8-yl)urea

Structural Information

Molecular Formula
C22H23F3N4O3
SMILES
C1CCN(CC1)C2=C(C=CC(=C2)C(F)(F)F)CNC(=O)NC3=CC=CC4=C3OCC(=O)N4
InChI
InChI=1S/C22H23F3N4O3/c23-22(24,25)15-8-7-14(18(11-15)29-9-2-1-3-10-29)12-26-21(31)28-17-6-4-5-16-20(17)32-13-19(30)27-16/h4-8,11H,1-3,9-10,12-13H2,(H,27,30)(H2,26,28,31)
InChIKey
FSBAINYERQVPNQ-UHFFFAOYSA-N
Compound name
1-(3-oxo-4H-1,4-benzoxazin-8-yl)-3-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

448.1722 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.17948 202.2
[M+Na]+ 471.16142 209.0
[M+NH4]+ 466.20602 204.8
[M+K]+ 487.13536 204.4
[M-H]- 447.16492 202.8
[M+Na-2H]- 469.14687 204.5
[M]+ 448.17165 202.7
[M]- 448.17275 202.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe