CID 9955472

N-[5-[1-[3-(trifluoromethyl)phenyl]ethylcarbamothioylamino]-2-pyridyl]thiazole-4-carboxamide

Structural Information

Molecular Formula
C19H16F3N5OS2
SMILES
CC(C1=CC(=CC=C1)C(F)(F)F)NC(=S)NC2=CN=C(C=C2)NC(=O)C3=CSC=N3
InChI
InChI=1S/C19H16F3N5OS2/c1-11(12-3-2-4-13(7-12)19(20,21)22)25-18(29)26-14-5-6-16(23-8-14)27-17(28)15-9-30-10-24-15/h2-11H,1H3,(H,23,27,28)(H2,25,26,29)
InChIKey
VQYVSDXYRUTMRP-UHFFFAOYSA-N
Compound name
N-[5-[1-[3-(trifluoromethyl)phenyl]ethylcarbamothioylamino]pyridin-2-yl]-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

451.07483 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.08211 195.2
[M+Na]+ 474.06405 201.0
[M-H]- 450.06755 198.2
[M+NH4]+ 469.10865 202.8
[M+K]+ 490.03799 193.1
[M+H-H2O]+ 434.07209 184.0
[M+HCOO]- 496.07303 203.1
[M+CH3COO]- 510.08868 231.3
[M+Na-2H]- 472.04950 194.9
[M]+ 451.07428 192.2
[M]- 451.07538 192.2
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.