CID 17931

Sulazepam

Structural Information

Molecular Formula
C16H13ClN2S
SMILES
CN1C(=S)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C16H13ClN2S/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey
MWGWTOPCKLQYEU-UHFFFAOYSA-N
Compound name
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

304
Patents

300.0488 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05608 166.9
[M+Na]+ 323.03802 182.2
[M+NH4]+ 318.08262 175.9
[M+K]+ 339.01196 172.1
[M-H]- 299.04152 171.7
[M+Na-2H]- 321.02347 175.2
[M]+ 300.04825 171.5
[M]- 300.04935 171.5
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