CID 142641556

4'-chloro deschloroalprazolam

Structural Information

Molecular Formula
C17H13ClN4
SMILES
CC1=NN=C2N1C3=CC=CC=C3C(=NC2)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-6-8-13(18)9-7-12)14-4-2-3-5-15(14)22(11)16/h2-9H,10H2,1H3
InChIKey
QZQFCOLCRXZSIK-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

308.0829 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09018 171.5
[M+Na]+ 331.07212 184.2
[M-H]- 307.07562 176.5
[M+NH4]+ 326.11672 185.3
[M+K]+ 347.04606 179.7
[M+H-H2O]+ 291.08016 160.3
[M+HCOO]- 353.08110 185.0
[M+CH3COO]- 367.09675 182.5
[M+Na-2H]- 329.05757 176.7
[M]+ 308.08235 172.3
[M]- 308.08345 172.3
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

No patent data available for this compound.