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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.