CID 40344

Flutemazepam

Structural Information

Molecular Formula
C16H12ClFN2O2
SMILES
CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3F
InChI
InChI=1S/C16H12ClFN2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
InChIKey
RMFYWNFETXNTIQ-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

131
Patents

318.05713 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06441 166.5
[M+Na]+ 341.04635 180.5
[M+NH4]+ 336.09095 173.1
[M+K]+ 357.02029 174.3
[M-H]- 317.04985 168.4
[M+Na-2H]- 339.03180 173.1
[M]+ 318.05658 169.4
[M]- 318.05768 169.4
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