CID 131927

135991-48-9

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

557
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

literature stripe

Patent stripe

patents stripe