CID 25093353

Tups cpd

Structural Information

Molecular Formula
C14H18F3N3O4S
SMILES
CS(=O)(=O)N1CCC(CC1)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C14H18F3N3O4S/c1-25(22,23)20-8-6-11(7-9-20)19-13(21)18-10-2-4-12(5-3-10)24-14(15,16)17/h2-5,11H,6-9H2,1H3,(H2,18,19,21)
InChIKey
YORLNOBDSZJFQQ-UHFFFAOYSA-N
Compound name
1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

124
Patents

381.09702 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.10430 180.4
[M+Na]+ 404.08624 184.9
[M-H]- 380.08974 180.7
[M+NH4]+ 399.13084 190.1
[M+K]+ 420.06018 181.1
[M+H-H2O]+ 364.09428 169.7
[M+HCOO]- 426.09522 190.0
[M+CH3COO]- 440.11087 215.7
[M+Na-2H]- 402.07169 182.5
[M]+ 381.09647 175.6
[M]- 381.09757 175.6
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

No patent data available for this compound.