CID 3057696

4h-thieno(3,4-b)(1,5)benzodiazepine, 10-(4-methyl-1-piperazinyl)-7-(methylthio)-

Structural Information

Molecular Formula
C17H20N4S2
SMILES
CN1CCN(CC1)C2=NC3=C(C=CC(=C3)SC)NC4=CSC=C42
InChI
InChI=1S/C17H20N4S2/c1-20-5-7-21(8-6-20)17-13-10-23-11-16(13)18-14-4-3-12(22-2)9-15(14)19-17/h3-4,9-11,18H,5-8H2,1-2H3
InChIKey
UZIHTUDXIVPXKT-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)-7-methylsulfanyl-10H-thieno[3,4-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

344.11295 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12023 178.9
[M+Na]+ 367.10217 190.1
[M+NH4]+ 362.14677 186.9
[M+K]+ 383.07611 181.7
[M-H]- 343.10567 181.9
[M+Na-2H]- 365.08762 182.7
[M]+ 344.11240 182.3
[M]- 344.11350 182.3
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

patents stripe