CID 68790

Climazolam

Structural Information

Molecular Formula
C18H13Cl2N3
SMILES
CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl
InChI
InChI=1S/C18H13Cl2N3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
InChIKey
CHCISLOJADQUNQ-UHFFFAOYSA-N
Compound name
8-chloro-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

445
Patents

341.04865 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.05593 177.4
[M+Na]+ 364.03787 191.4
[M-H]- 340.04137 182.9
[M+NH4]+ 359.08247 192.1
[M+K]+ 380.01181 186.3
[M+H-H2O]+ 324.04591 167.3
[M+HCOO]- 386.04685 187.1
[M+CH3COO]- 400.06250 188.4
[M+Na-2H]- 362.02332 180.8
[M]+ 341.04810 179.6
[M]- 341.04920 179.6
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.