CID 473741

5-[(2,5-dimethoxyanilino)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C15H17N5O2S
SMILES
COC1=CC(=C(C=C1)OC)NCC2=CSC3=NC(=NC(=C23)N)N
InChI
InChI=1S/C15H17N5O2S/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)
InChIKey
MFJUCPYXHPTBDM-UHFFFAOYSA-N
Compound name
5-[(2,5-dimethoxyanilino)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.1103 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11758 172.0
[M+Na]+ 354.09952 182.6
[M-H]- 330.10302 177.8
[M+NH4]+ 349.14412 186.1
[M+K]+ 370.07346 177.0
[M+H-H2O]+ 314.10756 163.7
[M+HCOO]- 376.10850 192.6
[M+CH3COO]- 390.12415 183.5
[M+Na-2H]- 352.08497 175.4
[M]+ 331.10975 176.8
[M]- 331.11085 176.8
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.