CID 485849

6-[4-(trifluoromethyl)phenyl]sulfanylthieno[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C13H9F3N4S2
SMILES
C1=CC(=CC=C1C(F)(F)F)SC2=CC3=C(N=C(N=C3S2)N)N
InChI
InChI=1S/C13H9F3N4S2/c14-13(15,16)6-1-3-7(4-2-6)21-9-5-8-10(17)19-12(18)20-11(8)22-9/h1-5H,(H4,17,18,19,20)
InChIKey
BIKVSEDAFWMIBM-UHFFFAOYSA-N
Compound name
6-[4-(trifluoromethyl)phenyl]sulfanylthieno[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.02206 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.02934 166.4
[M+Na]+ 365.01128 179.2
[M-H]- 341.01478 167.7
[M+NH4]+ 360.05588 180.7
[M+K]+ 380.98522 170.5
[M+H-H2O]+ 325.01932 157.4
[M+HCOO]- 387.02026 176.3
[M+CH3COO]- 401.03591 176.9
[M+Na-2H]- 362.99673 168.1
[M]+ 342.02151 165.7
[M]- 342.02261 165.7
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.