CID 13381718

95096-02-9

Structural Information

Molecular Formula
C13H10FN5OS
SMILES
C1=CC(=CC=C1F)S(=O)C2=NC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C13H10FN5OS/c14-7-1-3-8(4-2-7)21(20)10-6-5-9-11(18-10)12(15)19-13(16)17-9/h1-6H,(H4,15,16,17,19)
InChIKey
GPHXFXVPXHVVGD-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.05902 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06630 164.1
[M+Na]+ 326.04824 175.0
[M-H]- 302.05174 166.5
[M+NH4]+ 321.09284 175.9
[M+K]+ 342.02218 167.9
[M+H-H2O]+ 286.05628 154.4
[M+HCOO]- 348.05722 178.7
[M+CH3COO]- 362.07287 174.6
[M+Na-2H]- 324.03369 168.3
[M]+ 303.05847 163.0
[M]- 303.05957 163.0
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.