CID 182017

4-hydroxyalprazolam

Structural Information

Molecular Formula
C17H13ClN4O
SMILES
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2O)C4=CC=CC=C4
InChI
InChI=1S/C17H13ClN4O/c1-10-20-21-16-17(23)19-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)22(10)16/h2-9,17,23H,1H3
InChIKey
CEYGCFLPQFNPST-UHFFFAOYSA-N
Compound name
8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

22
Patents

324.0778 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08508 174.0
[M+Na]+ 347.06702 189.3
[M+NH4]+ 342.11162 181.4
[M+K]+ 363.04096 183.9
[M-H]- 323.07052 176.9
[M+Na-2H]- 345.05247 180.9
[M]+ 324.07725 177.5
[M]- 324.07835 177.5
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