CID 9651237

475465-60-2

Structural Information

Molecular Formula
C17H14FN3S
SMILES
CC1=CC=C(C=C1)C2=CSC(=N2)N/N=C/C3=CC=C(C=C3)F
InChI
InChI=1S/C17H14FN3S/c1-12-2-6-14(7-3-12)16-11-22-17(20-16)21-19-10-13-4-8-15(18)9-5-13/h2-11H,1H3,(H,20,21)/b19-10+
InChIKey
URJYSRNVMIADDA-VXLYETTFSA-N
Compound name
N-[(E)-(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.08923 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09651 169.0
[M+Na]+ 334.07845 178.3
[M-H]- 310.08195 178.3
[M+NH4]+ 329.12305 185.0
[M+K]+ 350.05239 171.7
[M+H-H2O]+ 294.08649 159.1
[M+HCOO]- 356.08743 191.0
[M+CH3COO]- 370.10308 181.1
[M+Na-2H]- 332.06390 171.2
[M]+ 311.08868 170.2
[M]- 311.08978 170.2
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.