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
3
Annotation Hits

17
References

139
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 172.9
[M+Na]+ 349.06268 186.5
[M-H]- 325.06618 177.0
[M+NH4]+ 344.10728 186.3
[M+K]+ 365.03662 181.7
[M+H-H2O]+ 309.07072 161.1
[M+HCOO]- 371.07166 185.5
[M+CH3COO]- 385.08731 183.8
[M+Na-2H]- 347.04813 177.0
[M]+ 326.07291 173.3
[M]- 326.07401 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.