CID 4192

Midazolam

Structural Information

Molecular Formula
C18H13ClFN3
SMILES
CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F
InChI
InChI=1S/C18H13ClFN3/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
DDLIGBOFAVUZHB-UHFFFAOYSA-N
Compound name
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

13962
References

51565
Patents

325.07822 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.08550 173.1
[M+Na]+ 348.06744 186.2
[M-H]- 324.07094 178.4
[M+NH4]+ 343.11204 187.9
[M+K]+ 364.04138 181.5
[M+H-H2O]+ 308.07548 162.8
[M+HCOO]- 370.07642 186.7
[M+CH3COO]- 384.09207 184.4
[M+Na-2H]- 346.05289 176.8
[M]+ 325.07767 173.4
[M]- 325.07877 173.4
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