CID 3000475

Hi-344

Structural Information

Molecular Formula
C14H19F3N4S
SMILES
C1CCN(CC1)CCNC(=S)NC2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C14H19F3N4S/c15-14(16,17)11-4-5-12(19-10-11)20-13(22)18-6-9-21-7-2-1-3-8-21/h4-5,10H,1-3,6-9H2,(H2,18,19,20,22)
InChIKey
QBQKTJRLRCBYTQ-UHFFFAOYSA-N
Compound name
1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)pyridin-2-yl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.12827 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13555 172.1
[M+Na]+ 355.11749 175.9
[M-H]- 331.12099 170.6
[M+NH4]+ 350.16209 182.7
[M+K]+ 371.09143 170.1
[M+H-H2O]+ 315.12553 160.4
[M+HCOO]- 377.12647 180.9
[M+CH3COO]- 391.14212 209.5
[M+Na-2H]- 353.10294 172.9
[M]+ 332.12772 163.9
[M]- 332.12882 163.9
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.