CID 10359044

Flualprazolam

Structural Information

Molecular Formula
C17H12ClFN4
SMILES
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F
InChI
InChI=1S/C17H12ClFN4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
InChIKey
MPZVLJCMGPYWQQ-UHFFFAOYSA-N
Compound name
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

145
Patents

326.07346 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08074 170.7
[M+Na]+ 349.06268 185.8
[M+NH4]+ 344.10728 178.1
[M+K]+ 365.03662 179.9
[M-H]- 325.06618 172.9
[M+Na-2H]- 347.04813 177.9
[M]+ 326.07291 173.9
[M]- 326.07401 173.9
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