CID 44277787

Rp-66055

Structural Information

Molecular Formula
C20H22FN3S
SMILES
C1CN(CCC1C2=CC=C(C=C2)F)CCN3C4=CC=CC=C4SC3=N
InChI
InChI=1S/C20H22FN3S/c21-17-7-5-15(6-8-17)16-9-11-23(12-10-16)13-14-24-18-3-1-2-4-19(18)25-20(24)22/h1-8,16,22H,9-14H2
InChIKey
YIJMYOZUUPAERG-UHFFFAOYSA-N
Compound name
3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-1,3-benzothiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

355.15186 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.15914 181.2
[M+Na]+ 378.14108 189.8
[M-H]- 354.14458 187.8
[M+NH4]+ 373.18568 194.6
[M+K]+ 394.11502 181.5
[M+H-H2O]+ 338.14912 171.0
[M+HCOO]- 400.15006 195.4
[M+CH3COO]- 414.16571 190.9
[M+Na-2H]- 376.12653 181.3
[M]+ 355.15131 179.4
[M]- 355.15241 179.4
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