CID 476029

Chembl342654

Structural Information

Molecular Formula
C14H13N5O3S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)C2=NC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C14H13N5O3S/c1-22-8-2-4-9(5-3-8)23(20,21)11-7-6-10-12(18-11)13(15)19-14(16)17-10/h2-7H,1H3,(H4,15,16,17,19)
InChIKey
ZEWBCNIXCRTRSS-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)sulfonylpyrido[3,2-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.0739 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.08118 174.7
[M+Na]+ 354.06312 185.2
[M-H]- 330.06662 178.4
[M+NH4]+ 349.10772 185.1
[M+K]+ 370.03706 179.2
[M+H-H2O]+ 314.07116 165.7
[M+HCOO]- 376.07210 189.8
[M+CH3COO]- 390.08775 210.8
[M+Na-2H]- 352.04857 181.0
[M]+ 331.07335 176.7
[M]- 331.07445 176.7
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

No patent data available for this compound.