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

385
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

literature stripe

Patent stripe

patents stripe