CID 5556

Triazolam

Structural Information

Molecular Formula
C17H12Cl2N4
SMILES
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl
InChI
InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
InChIKey
JOFWLTCLBGQGBO-UHFFFAOYSA-N
Compound name
8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1518
References

30738
Patents

342.0439 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.05118 176.6
[M+Na]+ 365.03312 191.0
[M-H]- 341.03662 180.9
[M+NH4]+ 360.07772 189.9
[M+K]+ 381.00706 186.1
[M+H-H2O]+ 325.04116 165.0
[M+HCOO]- 387.04210 185.3
[M+CH3COO]- 401.05775 187.3
[M+Na-2H]- 363.01857 180.5
[M]+ 342.04335 178.8
[M]- 342.04445 178.8
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.