CID 509247

5-methyl-6-(3-phenylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C16H18N4S
SMILES
CC1=C(SC2=NC(=NC(=C12)N)N)CCCC3=CC=CC=C3
InChI
InChI=1S/C16H18N4S/c1-10-12(9-5-8-11-6-3-2-4-7-11)21-15-13(10)14(17)19-16(18)20-15/h2-4,6-7H,5,8-9H2,1H3,(H4,17,18,19,20)
InChIKey
PWEKITUJMDFYJW-UHFFFAOYSA-N
Compound name
5-methyl-6-(3-phenylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13248 167.3
[M+Na]+ 321.11442 178.2
[M-H]- 297.11792 172.7
[M+NH4]+ 316.15902 183.2
[M+K]+ 337.08836 171.0
[M+H-H2O]+ 281.12246 159.3
[M+HCOO]- 343.12340 186.3
[M+CH3COO]- 357.13905 179.0
[M+Na-2H]- 319.09987 169.5
[M]+ 298.12465 170.0
[M]- 298.12575 170.0
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.