CID 3745861

885460-37-7

Structural Information

Molecular Formula
C17H10ClN3S
SMILES
C1=CC=C(C=C1)C2=CC3=C(S2)N=C(N=C3Cl)C4=CC=CC=N4
InChI
InChI=1S/C17H10ClN3S/c18-15-12-10-14(11-6-2-1-3-7-11)22-17(12)21-16(20-15)13-8-4-5-9-19-13/h1-10H
InChIKey
NZMMAALYFKUHBA-UHFFFAOYSA-N
Compound name
4-chloro-6-phenyl-2-pyridin-2-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]+ 324.03566 170.7
[M+Na]+ 346.01760 184.3
[M-H]- 322.02110 178.7
[M+NH4]+ 341.06220 185.4
[M+K]+ 361.99154 175.7
[M+H-H2O]+ 306.02564 161.7
[M+HCOO]- 368.02658 184.0
[M+CH3COO]- 382.04223 182.9
[M+Na-2H]- 344.00305 174.9
[M]+ 323.02783 176.4
[M]- 323.02893 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.