CID 5715369

Nsc73239

Structural Information

Molecular Formula
C15H14FN3OS
SMILES
COC1=CC=C(C=C1)/C=N\NC(=S)NC2=CC=C(C=C2)F
InChI
InChI=1S/C15H14FN3OS/c1-20-14-8-2-11(3-9-14)10-17-19-15(21)18-13-6-4-12(16)5-7-13/h2-10H,1H3,(H2,18,19,21)/b17-10-
InChIKey
BZDSAFICFCVTBP-YVLHZVERSA-N
Compound name
1-(4-fluorophenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.08417 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09145 166.5
[M+Na]+ 326.07339 173.1
[M-H]- 302.07689 173.2
[M+NH4]+ 321.11799 181.7
[M+K]+ 342.04733 167.8
[M+H-H2O]+ 286.08143 156.9
[M+HCOO]- 348.08237 188.3
[M+CH3COO]- 362.09802 210.3
[M+Na-2H]- 324.05884 170.0
[M]+ 303.08362 166.7
[M]- 303.08472 166.7
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.