CID 131927

4-(2-fluorophenyl)-6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidine

Structural Information

Molecular Formula
C17H17FN4S
SMILES
CC1=CC2=C(N=C(N=C2S1)N3CCNCC3)C4=CC=CC=C4F
InChI
InChI=1S/C17H17FN4S/c1-11-10-13-15(12-4-2-3-5-14(12)18)20-17(21-16(13)23-11)22-8-6-19-7-9-22/h2-5,10,19H,6-9H2,1H3
InChIKey
FVIVKIGLBDRWNR-UHFFFAOYSA-N
Compound name
4-(2-fluorophenyl)-6-methyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

696
Patents

328.11578 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12306 174.2
[M+Na]+ 351.10500 184.5
[M-H]- 327.10850 177.5
[M+NH4]+ 346.14960 185.7
[M+K]+ 367.07894 176.1
[M+H-H2O]+ 311.11304 163.7
[M+HCOO]- 373.11398 184.2
[M+CH3COO]- 387.12963 183.6
[M+Na-2H]- 349.09045 174.3
[M]+ 328.11523 172.0
[M]- 328.11633 172.0
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.