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

1207
Patents

341.07312 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08040 176.1
[M+Na]+ 364.06234 188.5
[M-H]- 340.06584 180.3
[M+NH4]+ 359.10694 189.6
[M+K]+ 380.03628 184.0
[M+H-H2O]+ 324.07038 166.0
[M+HCOO]- 386.07132 188.5
[M+CH3COO]- 400.08697 186.6
[M+Na-2H]- 362.04779 179.6
[M]+ 341.07257 176.1
[M]- 341.07367 176.1
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