CID 457382

Chembl320811

Structural Information

Molecular Formula
C14H14N4S
SMILES
CC1=C(SC2=NC(=NC(=C12)N)N)CC3=CC=CC=C3
InChI
InChI=1S/C14H14N4S/c1-8-10(7-9-5-3-2-4-6-9)19-13-11(8)12(15)17-14(16)18-13/h2-6H,7H2,1H3,(H4,15,16,17,18)
InChIKey
VQQXEPFQMVLAHH-UHFFFAOYSA-N
Compound name
6-benzyl-5-methylthieno[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.0939 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10118 158.7
[M+Na]+ 293.08312 170.5
[M-H]- 269.08662 164.4
[M+NH4]+ 288.12772 175.7
[M+K]+ 309.05706 163.8
[M+H-H2O]+ 253.09116 151.1
[M+HCOO]- 315.09210 178.4
[M+CH3COO]- 329.10775 171.3
[M+Na-2H]- 291.06857 161.8
[M]+ 270.09335 160.8
[M]- 270.09445 160.8
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.