CID 163290536

Chembl4861579

Structural Information

Molecular Formula
C17H14F2N4O2S
SMILES
CS(=O)(=O)C1=NC(=CC(=N1)NC2=CC=C(C=C2)F)NC3=CC=C(C=C3)F
InChI
InChI=1S/C17H14F2N4O2S/c1-26(24,25)17-22-15(20-13-6-2-11(18)3-7-13)10-16(23-17)21-14-8-4-12(19)5-9-14/h2-10H,1H3,(H2,20,21,22,23)
InChIKey
GSOYKVABHQNMSF-UHFFFAOYSA-N
Compound name
4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

376.08057 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08785 183.5
[M+Na]+ 399.06979 193.1
[M-H]- 375.07329 188.7
[M+NH4]+ 394.11439 192.5
[M+K]+ 415.04373 185.5
[M+H-H2O]+ 359.07783 171.6
[M+HCOO]- 421.07877 199.4
[M+CH3COO]- 435.09442 219.1
[M+Na-2H]- 397.05524 188.0
[M]+ 376.08002 183.1
[M]- 376.08112 183.1
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