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
9
Annotation Hits

13992
References

49745
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.