CID 476030

Chembl140597

Structural Information

Molecular Formula
C15H15N5O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)C2=NC3=C(C=C2)N=C(N=C3N)N)OC
InChI
InChI=1S/C15H15N5O4S/c1-23-10-5-3-8(7-11(10)24-2)25(21,22)12-6-4-9-13(19-12)14(16)20-15(17)18-9/h3-7H,1-2H3,(H4,16,17,18,20)
InChIKey
XJJLQSAMJQRNHA-UHFFFAOYSA-N
Compound name
6-(3,4-dimethoxyphenyl)sulfonylpyrido[3,2-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.08447 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09175 182.7
[M+Na]+ 384.07369 193.2
[M-H]- 360.07719 186.6
[M+NH4]+ 379.11829 191.9
[M+K]+ 400.04763 187.7
[M+H-H2O]+ 344.08173 173.5
[M+HCOO]- 406.08267 197.5
[M+CH3COO]- 420.09832 217.4
[M+Na-2H]- 382.05914 188.1
[M]+ 361.08392 186.8
[M]- 361.08502 186.8
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.