CID 124449

4-hydroxymidazolam

Structural Information

Molecular Formula
C18H13ClFN3O
SMILES
CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2O)C4=CC=CC=C4F
InChI
InChI=1S/C18H13ClFN3O/c1-10-21-9-16-18(24)22-17(12-4-2-3-5-14(12)20)13-8-11(19)6-7-15(13)23(10)16/h2-9,18,24H,1H3
InChIKey
ZYISITHKPKHPKG-UHFFFAOYSA-N
Compound name
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

90
Patents

341.07312 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.080396 176.8
[M+Na]+ 364.062338 190.1
[M-H]- 340.065844 181.4
[M+NH4]+ 359.106943 190.6
[M+K]+ 380.036278 185.8
[M+H-H2O]+ 324.070380 167.0
[M+HCOO]- 386.071321 189.2
[M+CH3COO]- 400.086971 187.7
[M+Na-2H]- 362.047786 179.6
[M]+ 341.07257142 177.3
[M]- 341.07366858 177.3
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