CID 118821635

303093-77-8

Structural Information

Molecular Formula
C19H14F3N3OS
SMILES
C1=CC=C(C=C1)N(C(=S)N)/N=C/C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C19H14F3N3OS/c20-19(21,22)14-6-4-5-13(11-14)17-10-9-16(26-17)12-24-25(18(23)27)15-7-2-1-3-8-15/h1-12H,(H2,23,27)/b24-12+
InChIKey
MZKWOTWAPCYKCZ-WYMPLXKRSA-N
Compound name
1-phenyl-1-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.08096 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.08824 189.2
[M+Na]+ 412.07018 196.3
[M-H]- 388.07368 198.1
[M+NH4]+ 407.11478 201.5
[M+K]+ 428.04412 191.7
[M+H-H2O]+ 372.07822 177.9
[M+HCOO]- 434.07916 207.4
[M+CH3COO]- 448.09481 226.4
[M+Na-2H]- 410.05563 189.6
[M]+ 389.08041 187.7
[M]- 389.08151 187.7
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.