CID 492809

Schembl6636431

Structural Information

Molecular Formula
C10H8ClFN4S
SMILES
C1=CC=NC(=C1)CSC2=NC(=C(C(=N2)Cl)F)N
InChI
InChI=1S/C10H8ClFN4S/c11-8-7(12)9(13)16-10(15-8)17-5-6-3-1-2-4-14-6/h1-4H,5H2,(H2,13,15,16)
InChIKey
MJBHXDFKCLORPP-UHFFFAOYSA-N
Compound name
6-chloro-5-fluoro-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

270.01422 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.02150 152.5
[M+Na]+ 293.00344 163.9
[M-H]- 269.00694 154.1
[M+NH4]+ 288.04804 166.1
[M+K]+ 308.97738 156.7
[M+H-H2O]+ 253.01148 143.5
[M+HCOO]- 315.01242 163.8
[M+CH3COO]- 329.02807 163.9
[M+Na-2H]- 290.98889 155.9
[M]+ 270.01367 154.1
[M]- 270.01477 154.1
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

patents stripe