CID 457306

6-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C16H18N4O2S
SMILES
COC1=CC(=C(C=C1)OC)CCC2=CC3=C(N=C(N=C3S2)N)N
InChI
InChI=1S/C16H18N4O2S/c1-21-10-4-6-13(22-2)9(7-10)3-5-11-8-12-14(17)19-16(18)20-15(12)23-11/h4,6-8H,3,5H2,1-2H3,(H4,17,18,19,20)
InChIKey
HOAYDGHFCFFUAK-UHFFFAOYSA-N
Compound name
6-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.11505 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12233 174.6
[M+Na]+ 353.10427 185.6
[M-H]- 329.10777 180.2
[M+NH4]+ 348.14887 189.1
[M+K]+ 369.07821 179.8
[M+H-H2O]+ 313.11231 166.4
[M+HCOO]- 375.11325 193.8
[M+CH3COO]- 389.12890 186.1
[M+Na-2H]- 351.08972 176.3
[M]+ 330.11450 180.3
[M]- 330.11560 180.3
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.