CID 135746668

Brn 1089703

Structural Information

Molecular Formula
C17H19FN4S
SMILES
CCC1=CC2=C(S1)NC3=C(C=C(C=C3)F)N=C2N4CCNCC4
InChI
InChI=1S/C17H19FN4S/c1-2-12-10-13-16(22-7-5-19-6-8-22)20-15-9-11(18)3-4-14(15)21-17(13)23-12/h3-4,9-10,19,21H,2,5-8H2,1H3
InChIKey
OYHCGPHRDGJFPC-UHFFFAOYSA-N
Compound name
2-ethyl-7-fluoro-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.13144 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13872 174.3
[M+Na]+ 353.12066 184.5
[M+NH4]+ 348.16526 181.0
[M+K]+ 369.09460 178.5
[M-H]- 329.12416 175.2
[M+Na-2H]- 351.10611 177.7
[M]+ 330.13089 176.3
[M]- 330.13199 176.3
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.