CID 135746678

4-(4-(3-chlorophenyl)-1-piperazinyl)-2-ethyl-7-fluoro-10h-thieno(2,3-b)(1,5)benzodiazepine hcl

Structural Information

Molecular Formula
C23H22ClFN4S
SMILES
CCC1=CC2=C(S1)NC3=C(C=C(C=C3)F)N=C2N4CCN(CC4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C23H22ClFN4S/c1-2-18-14-19-22(26-21-13-16(25)6-7-20(21)27-23(19)30-18)29-10-8-28(9-11-29)17-5-3-4-15(24)12-17/h3-7,12-14,27H,2,8-11H2,1H3
InChIKey
IZIOZNAKZSDOFS-UHFFFAOYSA-N
Compound name
4-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.12378 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.13106 204.4
[M+Na]+ 463.11300 214.4
[M-H]- 439.11650 209.0
[M+NH4]+ 458.15760 213.1
[M+K]+ 479.08694 208.3
[M+H-H2O]+ 423.12104 192.6
[M+HCOO]- 485.12198 206.6
[M+CH3COO]- 499.13763 211.2
[M+Na-2H]- 461.09845 201.3
[M]+ 440.12323 201.4
[M]- 440.12433 201.4
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.