CID 135704101

Brn 5614339

Structural Information

Molecular Formula
C18H20FN3S
SMILES
CCC1=CC2=C(S1)NC3=C(C=C(C=C3)F)N=C2N4CCCCC4
InChI
InChI=1S/C18H20FN3S/c1-2-13-11-14-17(22-8-4-3-5-9-22)20-16-10-12(19)6-7-15(16)21-18(14)23-13/h6-7,10-11,21H,2-5,8-9H2,1H3
InChIKey
NTMJGBPXLHDTGK-UHFFFAOYSA-N
Compound name
2-ethyl-7-fluoro-4-piperidin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.1362 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14348 174.9
[M+Na]+ 352.12542 185.6
[M+NH4]+ 347.17002 182.6
[M+K]+ 368.09936 178.9
[M-H]- 328.12892 177.0
[M+Na-2H]- 350.11087 179.1
[M]+ 329.13565 177.4
[M]- 329.13675 177.4
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

No patent data available for this compound.