CID 135770292

5-(5-(trifluoromethyl)-2-benzimidazolyl)-2-furaldehyde 3-thiosemicarbazone

Structural Information

Molecular Formula
C14H10F3N5OS
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC(=N2)C3=CC=C(O3)/C=N/NC(=S)N
InChI
InChI=1S/C14H10F3N5OS/c15-14(16,17)7-1-3-9-10(5-7)21-12(20-9)11-4-2-8(23-11)6-19-22-13(18)24/h1-6H,(H,20,21)(H3,18,22,24)/b19-6+
InChIKey
KGBIUADQEVHEDY-KPSZGOFPSA-N
Compound name
[(E)-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]furan-2-yl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.05582 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.06310 173.9
[M+Na]+ 376.04504 184.5
[M-H]- 352.04854 177.2
[M+NH4]+ 371.08964 187.6
[M+K]+ 392.01898 179.0
[M+H-H2O]+ 336.05308 164.6
[M+HCOO]- 398.05402 190.2
[M+CH3COO]- 412.06967 214.2
[M+Na-2H]- 374.03049 176.0
[M]+ 353.05527 173.1
[M]- 353.05637 173.1
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.