CID 1963

Alpha-hydroxytriazolam

Structural Information

Molecular Formula
C17H12Cl2N4O
SMILES
C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CO
InChI
InChI=1S/C17H12Cl2N4O/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15-21-22-16(9-24)23(14)15/h1-7,24H,8-9H2
InChIKey
BHUYWUDMVCLHND-UHFFFAOYSA-N
Compound name
[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

103
Patents

358.03882 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.04610 177.9
[M+Na]+ 381.02804 193.6
[M+NH4]+ 376.07264 185.3
[M+K]+ 397.00198 187.5
[M-H]- 357.03154 180.7
[M+Na-2H]- 379.01349 184.8
[M]+ 358.03827 181.7
[M]- 358.03937 181.7
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