CID 4961807

3-{4-chloro-6-phenylthieno[2,3-d]pyrimidin-2-yl}pyridine

Structural Information

Molecular Formula
C17H10ClN3S
SMILES
C1=CC=C(C=C1)C2=CC3=C(S2)N=C(N=C3Cl)C4=CN=CC=C4
InChI
InChI=1S/C17H10ClN3S/c18-15-13-9-14(11-5-2-1-3-6-11)22-17(13)21-16(20-15)12-7-4-8-19-10-12/h1-10H
InChIKey
NIIDBNGUIBYDBW-UHFFFAOYSA-N
Compound name
4-chloro-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.02838 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.035656 170.7
[M+Na]+ 346.017598 184.3
[M-H]- 322.021104 178.7
[M+NH4]+ 341.062203 185.4
[M+K]+ 361.991538 175.7
[M+H-H2O]+ 306.025640 161.7
[M+HCOO]- 368.026581 184.0
[M+CH3COO]- 382.042231 182.9
[M+Na-2H]- 344.003046 174.9
[M]+ 323.02783142 176.4
[M]- 323.02892858 176.4
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.