CID 16553365

N-((4-fluorophenyl)methyl)-6-phenylthieno(2,3-d)pyrimidin-4-amine

Structural Information

Molecular Formula
C19H14FN3S
SMILES
C1=CC=C(C=C1)C2=CC3=C(N=CN=C3S2)NCC4=CC=C(C=C4)F
InChI
InChI=1S/C19H14FN3S/c20-15-8-6-13(7-9-15)11-21-18-16-10-17(14-4-2-1-3-5-14)24-19(16)23-12-22-18/h1-10,12H,11H2,(H,21,22,23)
InChIKey
CQYYHPGGJIRGFD-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.08923 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09651 173.6
[M+Na]+ 358.07845 184.8
[M-H]- 334.08195 181.4
[M+NH4]+ 353.12305 187.9
[M+K]+ 374.05239 176.6
[M+H-H2O]+ 318.08649 163.6
[M+HCOO]- 380.08743 192.3
[M+CH3COO]- 394.10308 185.2
[M+Na-2H]- 356.06390 178.0
[M]+ 335.08868 176.0
[M]- 335.08978 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.