CID 156700559

1-(2,4-difluorophenyl)-3-{[(1h-indol-4-yl)methylidene]amino}thiourea

Structural Information

Molecular Formula
C16H12F2N4S
SMILES
C1=CC(=C2C=CNC2=C1)/C=N/NC(=S)NC3=C(C=C(C=C3)F)F
InChI
InChI=1S/C16H12F2N4S/c17-11-4-5-15(13(18)8-11)21-16(23)22-20-9-10-2-1-3-14-12(10)6-7-19-14/h1-9,19H,(H2,21,22,23)/b20-9+
InChIKey
HSKARAASMACSHQ-AWQFTUOYSA-N
Compound name
1-(2,4-difluorophenyl)-3-[(E)-1H-indol-4-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.07507 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08235 167.6
[M+Na]+ 353.06429 177.8
[M+NH4]+ 348.10889 174.3
[M+K]+ 369.03823 170.5
[M-H]- 329.06779 170.1
[M+Na-2H]- 351.04974 174.5
[M]+ 330.07452 169.8
[M]- 330.07562 169.8
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.