CID 128260

4-hydroxytriazolam

Structural Information

Molecular Formula
C17H12Cl2N4O
SMILES
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2O)C4=CC=CC=C4Cl
InChI
InChI=1S/C17H12Cl2N4O/c1-9-21-22-16-17(24)20-15(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)23(9)16/h2-8,17,24H,1H3
InChIKey
YUQRFPYHTPARRM-UHFFFAOYSA-N
Compound name
8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

358.03882 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.04610 180.0
[M+Na]+ 381.02804 194.6
[M-H]- 357.03154 183.6
[M+NH4]+ 376.07264 192.4
[M+K]+ 397.00198 190.1
[M+H-H2O]+ 341.03608 169.0
[M+HCOO]- 403.03702 187.6
[M+CH3COO]- 417.05267 190.3
[M+Na-2H]- 379.01349 183.0
[M]+ 358.03827 182.3
[M]- 358.03937 182.3
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.