CID 2811

Clotiazepam

Structural Information

Molecular Formula
C16H15ClN2OS
SMILES
CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C
InChI
InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3
InChIKey
CHBRHODLKOZEPZ-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-7-ethyl-1-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

71
References

6768
Patents

318.05936 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06664 172.1
[M+Na]+ 341.04858 182.9
[M-H]- 317.05208 179.0
[M+NH4]+ 336.09318 188.1
[M+K]+ 357.02252 180.6
[M+H-H2O]+ 301.05662 164.8
[M+HCOO]- 363.05756 183.0
[M+CH3COO]- 377.07321 183.5
[M+Na-2H]- 339.03403 171.0
[M]+ 318.05881 174.5
[M]- 318.05991 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.