CID 107917

1'-hydroxymidazolam

Structural Information

Molecular Formula

C₁₈H₁₃ClFN₃O

SMILES

C1C2=CN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4F)CO

InChI

InChI=1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2

InChIKey

QHSMEGADRFZVNE-UHFFFAOYSA-N

Compound name

[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 183
References: 906
Patents: 341.07312 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	342.080396	176.1
[M+Na]+	364.062338	188.5
[M-H]-	340.065844	180.3
[M+NH4]+	359.106943	189.6
[M+K]+	380.036278	184.0
[M+H-H2O]+	324.070380	166.0
[M+HCOO]-	386.071321	188.5
[M+CH3COO]-	400.086971	186.6
[M+Na-2H]-	362.047786	179.6
[M]+	341.07257142	176.1
[M]-	341.07366858	176.1

Literature stripe

literature stripe

Patent stripe

patents stripe