CID 2560321

5-(4-fluorophenyl)-4-hydrazinylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C12H9FN4S
SMILES
C1=CC(=CC=C1C2=CSC3=NC=NC(=C23)NN)F
InChI
InChI=1S/C12H9FN4S/c13-8-3-1-7(2-4-8)9-5-18-12-10(9)11(17-14)15-6-16-12/h1-6H,14H2,(H,15,16,17)
InChIKey
FIUCRKAZFZIXKQ-UHFFFAOYSA-N
Compound name
[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0532 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06048 150.4
[M+Na]+ 283.04242 162.4
[M-H]- 259.04592 155.3
[M+NH4]+ 278.08702 167.8
[M+K]+ 299.01636 155.9
[M+H-H2O]+ 243.05046 142.0
[M+HCOO]- 305.05140 170.5
[M+CH3COO]- 319.06705 163.4
[M+Na-2H]- 281.02787 155.9
[M]+ 260.05265 151.5
[M]- 260.05375 151.5
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.