CID 62188326

2-phenylthieno[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C12H9N3S
SMILES
C1=CC=C(C=C1)C2=NC(=C3C=CSC3=N2)N
InChI
InChI=1S/C12H9N3S/c13-10-9-6-7-16-12(9)15-11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15)
InChIKey
VQUWVROZMNLFDC-UHFFFAOYSA-N
Compound name
2-phenylthieno[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

227.05171 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05899 145.4
[M+Na]+ 250.04093 157.4
[M-H]- 226.04443 151.4
[M+NH4]+ 245.08553 164.3
[M+K]+ 266.01487 151.6
[M+H-H2O]+ 210.04897 138.1
[M+HCOO]- 272.04991 165.6
[M+CH3COO]- 286.06556 159.1
[M+Na-2H]- 248.02638 151.2
[M]+ 227.05116 147.6
[M]- 227.05226 147.6
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

patents stripe