CID 54581340

Ldn-193594

Structural Information

Molecular Formula
C15H11FN4OS
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(N=C(S2)NC3=CN=CC=C3)N)F
InChI
InChI=1S/C15H11FN4OS/c16-11-6-2-1-5-10(11)12(21)13-14(17)20-15(22-13)19-9-4-3-7-18-8-9/h1-8H,17H2,(H,19,20)
InChIKey
XHJMMMPXTUEBMQ-UHFFFAOYSA-N
Compound name
[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.06375 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07103 167.2
[M+Na]+ 337.05297 179.2
[M+NH4]+ 332.09757 174.1
[M+K]+ 353.02691 172.7
[M-H]- 313.05647 171.5
[M+Na-2H]- 335.03842 175.9
[M]+ 314.06320 170.3
[M]- 314.06430 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.