CID 139596681

Ptoongkkgpzdrb-uhfffaoysa-n

Structural Information

Molecular Formula
C16H20F3N3O2S
SMILES
CC(CC(C)(C)O)C1=C(C=CS1)NC(=O)C2=CN(N=C2C(F)(F)F)C
InChI
InChI=1S/C16H20F3N3O2S/c1-9(7-15(2,3)24)12-11(5-6-25-12)20-14(23)10-8-22(4)21-13(10)16(17,18)19/h5-6,8-9,24H,7H2,1-4H3,(H,20,23)
InChIKey
PTOONGKKGPZDRB-UHFFFAOYSA-N
Compound name
N-[2-(4-hydroxy-4-methylpentan-2-yl)thiophen-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

375.12283 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.13011 187.5
[M+Na]+ 398.11205 192.2
[M+NH4]+ 393.15665 190.0
[M+K]+ 414.08599 191.3
[M-H]- 374.11555 182.7
[M+Na-2H]- 396.09750 188.2
[M]+ 375.12228 186.7
[M]- 375.12338 186.7
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

No patent data available for this compound.