CID 457372

Chembl323960

Structural Information

Molecular Formula
C15H16N4O2S
SMILES
CC1=C(SC2=NC(=NC(=C12)N)N)C3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C15H16N4O2S/c1-7-11-13(16)18-15(17)19-14(11)22-12(7)9-6-8(20-2)4-5-10(9)21-3/h4-6H,1-3H3,(H4,16,17,18,19)
InChIKey
HZLAEKPBPKLCAR-UHFFFAOYSA-N
Compound name
6-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

316.0994 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10668 171.3
[M+Na]+ 339.08862 183.7
[M-H]- 315.09212 177.6
[M+NH4]+ 334.13322 186.7
[M+K]+ 355.06256 178.1
[M+H-H2O]+ 299.09666 163.6
[M+HCOO]- 361.09760 190.9
[M+CH3COO]- 375.11325 183.6
[M+Na-2H]- 337.07407 172.8
[M]+ 316.09885 177.2
[M]- 316.09995 177.2
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.