CID 135704091

7-fluoro-4-(4-methyl-1-piperazinyl)-2-phenyl-10h-thieno(2,3-b)(1,5)benzodiazepine 2hcl h2o

Structural Information

Molecular Formula
C22H21FN4S
SMILES
CN1CCN(CC1)C2=NC3=C(C=CC(=C3)F)NC4=C2C=C(S4)C5=CC=CC=C5
InChI
InChI=1S/C22H21FN4S/c1-26-9-11-27(12-10-26)21-17-14-20(15-5-3-2-4-6-15)28-22(17)25-18-8-7-16(23)13-19(18)24-21/h2-8,13-14,25H,9-12H2,1H3
InChIKey
ODLKKPTWQGGRQI-UHFFFAOYSA-N
Compound name
7-fluoro-4-(4-methylpiperazin-1-yl)-2-phenyl-10H-thieno[2,3-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.1471 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15438 193.5
[M+Na]+ 415.13632 206.2
[M+NH4]+ 410.18092 200.8
[M+K]+ 431.11026 198.5
[M-H]- 391.13982 197.3
[M+Na-2H]- 413.12177 199.4
[M]+ 392.14655 196.9
[M]- 392.14765 196.9
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.