CID 509248

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

Structural Information

Molecular Formula
C17H20N4S
SMILES
CC1=C(SC2=NC(=NC(=C12)N)N)CCCCC3=CC=CC=C3
InChI
InChI=1S/C17H20N4S/c1-11-13(10-6-5-9-12-7-3-2-4-8-12)22-16-14(11)15(18)20-17(19)21-16/h2-4,7-8H,5-6,9-10H2,1H3,(H4,18,19,20,21)
InChIKey
WNMFPFQVJDLOAT-UHFFFAOYSA-N
Compound name
5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.14087 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14815 171.6
[M+Na]+ 335.13009 182.0
[M-H]- 311.13359 176.7
[M+NH4]+ 330.17469 186.9
[M+K]+ 351.10403 174.6
[M+H-H2O]+ 295.13813 163.4
[M+HCOO]- 357.13907 190.3
[M+CH3COO]- 371.15472 182.9
[M+Na-2H]- 333.11554 173.3
[M]+ 312.14032 174.6
[M]- 312.14142 174.6
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.