CID 9554757

Nsc345697

Structural Information

Molecular Formula
C14H13FN4S
SMILES
C/C(=N\NC(=S)NC1=CC(=CC=C1)F)/C2=CC=CC=N2
InChI
InChI=1S/C14H13FN4S/c1-10(13-7-2-3-8-16-13)18-19-14(20)17-12-6-4-5-11(15)9-12/h2-9H,1H3,(H2,17,19,20)/b18-10+
InChIKey
VCKFVZSNSWYSKQ-VCHYOVAHSA-N
Compound name
1-(3-fluorophenyl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

288.0845 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09178 162.8
[M+Na]+ 311.07372 168.8
[M-H]- 287.07722 168.0
[M+NH4]+ 306.11832 177.0
[M+K]+ 327.04766 163.5
[M+H-H2O]+ 271.08176 152.8
[M+HCOO]- 333.08270 182.4
[M+CH3COO]- 347.09835 207.5
[M+Na-2H]- 309.05917 166.6
[M]+ 288.08395 160.8
[M]- 288.08505 160.8
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.