CID 44142782

Tppu

Structural Information

Molecular Formula
C16H20F3N3O3
SMILES
CCC(=O)N1CCC(CC1)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
InChIKey
AAJMQTLFRTZCJK-UHFFFAOYSA-N
Compound name
1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

137
Patents

359.1457 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15298 180.9
[M+Na]+ 382.13492 184.2
[M-H]- 358.13842 181.2
[M+NH4]+ 377.17952 191.1
[M+K]+ 398.10886 181.1
[M+H-H2O]+ 342.14296 169.5
[M+HCOO]- 404.14390 195.2
[M+CH3COO]- 418.15955 216.3
[M+Na-2H]- 380.12037 181.4
[M]+ 359.14515 173.7
[M]- 359.14625 173.7
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

patents stripe