CID 3034015

Ticarbodine

Structural Information

Molecular Formula
C15H19F3N2S
SMILES
CC1CCCC(N1C(=S)NC2=CC=CC(=C2)C(F)(F)F)C
InChI
InChI=1S/C15H19F3N2S/c1-10-5-3-6-11(2)20(10)14(21)19-13-8-4-7-12(9-13)15(16,17)18/h4,7-11H,3,5-6H2,1-2H3,(H,19,21)
InChIKey
YTNJAWMNFLIDLW-UHFFFAOYSA-N
Compound name
2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

229
Patents

316.1221 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.129376 170.1
[M+Na]+ 339.111318 176.0
[M-H]- 315.114824 170.8
[M+NH4]+ 334.155923 183.7
[M+K]+ 355.085258 170.4
[M+H-H2O]+ 299.119360 159.9
[M+HCOO]- 361.120301 178.8
[M+CH3COO]- 375.135951 207.2
[M+Na-2H]- 337.096766 168.1
[M]+ 316.12155142 163.1
[M]- 316.12264858 163.1
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.