CID 44251605

1194044-20-6

Structural Information

Molecular Formula
C15H14F2N4S
SMILES
C[C@]1(CCSC(=N1)N)C2=C(C=C(C(=C2)C3=CN=CN=C3)F)F
InChI
InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1
InChIKey
MJQMRGWYPNIERM-HNNXBMFYSA-N
Compound name
(4S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

85
Patents

320.09073 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09801 168.1
[M+Na]+ 343.07995 181.2
[M+NH4]+ 338.12455 176.2
[M+K]+ 359.05389 170.4
[M-H]- 319.08345 171.0
[M+Na-2H]- 341.06540 177.8
[M]+ 320.09018 171.3
[M]- 320.09128 171.3
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

patents stripe