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 167.3
[M+Na]+ 337.05297 176.4
[M-H]- 313.05647 173.8
[M+NH4]+ 332.09757 180.6
[M+K]+ 353.02691 169.9
[M+H-H2O]+ 297.06101 157.4
[M+HCOO]- 359.06195 185.8
[M+CH3COO]- 373.07760 178.3
[M+Na-2H]- 335.03842 168.5
[M]+ 314.06320 166.5
[M]- 314.06430 166.5
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.