CID 509246

5-methyl-6-phenethyl-thieno[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C15H16N4S
SMILES
CC1=C(SC2=NC(=NC(=C12)N)N)CCC3=CC=CC=C3
InChI
InChI=1S/C15H16N4S/c1-9-11(8-7-10-5-3-2-4-6-10)20-14-12(9)13(16)18-15(17)19-14/h2-6H,7-8H2,1H3,(H4,16,17,18,19)
InChIKey
VEQQPJKBKJZQRD-UHFFFAOYSA-N
Compound name
5-methyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.10956 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11684 163.0
[M+Na]+ 307.09878 174.4
[M-H]- 283.10228 168.6
[M+NH4]+ 302.14338 179.5
[M+K]+ 323.07272 167.4
[M+H-H2O]+ 267.10682 155.2
[M+HCOO]- 329.10776 182.4
[M+CH3COO]- 343.12341 175.2
[M+Na-2H]- 305.08423 165.7
[M]+ 284.10901 165.4
[M]- 284.11011 165.4
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.