CID 162244

Alpha-hydroxyalprazolam

Structural Information

Molecular Formula
C17H13ClN4O
SMILES
C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4)CO
InChI
InChI=1S/C17H13ClN4O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)19-9-15-20-21-16(10-23)22(14)15/h1-8,23H,9-10H2
InChIKey
ZURUZYHEEMDQBU-UHFFFAOYSA-N
Compound name
(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

220
Patents

324.0778 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08508 174.4
[M+Na]+ 347.06702 186.4
[M-H]- 323.07052 178.3
[M+NH4]+ 342.11162 186.9
[M+K]+ 363.04096 182.2
[M+H-H2O]+ 307.07506 163.5
[M+HCOO]- 369.07600 186.7
[M+CH3COO]- 383.09165 184.7
[M+Na-2H]- 345.05247 179.4
[M]+ 324.07725 174.9
[M]- 324.07835 174.9
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