CID 476027

Chembl137981

Structural Information

Molecular Formula
C15H15N5O2S
SMILES
COC1=C(C=C(C=C1)SC2=NC3=C(C=C2)N=C(N=C3N)N)OC
InChI
InChI=1S/C15H15N5O2S/c1-21-10-5-3-8(7-11(10)22-2)23-12-6-4-9-13(19-12)14(16)20-15(17)18-9/h3-7H,1-2H3,(H4,16,17,18,20)
InChIKey
CWOCTKXQFPYUJK-UHFFFAOYSA-N
Compound name
6-(3,4-dimethoxyphenyl)sulfanylpyrido[3,2-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

329.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10192 174.5
[M+Na]+ 352.08386 185.0
[M-H]- 328.08736 178.1
[M+NH4]+ 347.12846 185.4
[M+K]+ 368.05780 178.7
[M+H-H2O]+ 312.09190 165.0
[M+HCOO]- 374.09284 190.4
[M+CH3COO]- 388.10849 184.7
[M+Na-2H]- 350.06931 178.6
[M]+ 329.09409 177.9
[M]- 329.09519 177.9
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.