CID 3041455

Clotizolam

Structural Information

Molecular Formula
C15H10Cl2N4S
SMILES
CC1=NN=C2N1C3=C(C=C(S3)Cl)C(=NC2)C4=CC=CC=C4Cl
InChI
InChI=1S/C15H10Cl2N4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)16)10-6-12(17)22-15(10)21(8)13/h2-6H,7H2,1H3
InChIKey
CHGXYVPOFYZWRH-UHFFFAOYSA-N
Compound name
4-chloro-7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

348.00034 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.00762 174.1
[M+Na]+ 370.98956 189.7
[M+NH4]+ 366.03416 182.7
[M+K]+ 386.96350 183.2
[M-H]- 346.99306 177.4
[M+Na-2H]- 368.97501 180.7
[M]+ 347.99979 178.5
[M]- 348.00089 178.5
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

patents stripe