CID 68832

Zapizolam

Structural Information

Molecular Formula
C15H9Cl2N5
SMILES
C1C2=NN=CN2C3=C(C(=N1)C4=CC=CC=C4Cl)N=C(C=C3)Cl
InChI
InChI=1S/C15H9Cl2N5/c16-10-4-2-1-3-9(10)14-15-11(5-6-12(17)20-15)22-8-19-21-13(22)7-18-14/h1-6,8H,7H2
InChIKey
FOWABKOXWTZAKY-UHFFFAOYSA-N
Compound name
12-chloro-9-(2-chlorophenyl)-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,8,11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

105
Patents

329.0235 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.030776 170.6
[M+Na]+ 352.012718 185.0
[M-H]- 328.016224 173.4
[M+NH4]+ 347.057323 182.7
[M+K]+ 367.986658 180.2
[M+H-H2O]+ 312.020760 157.4
[M+HCOO]- 374.021701 178.5
[M+CH3COO]- 388.037351 181.0
[M+Na-2H]- 349.998166 176.1
[M]+ 329.02295142 172.0
[M]- 329.02404858 172.0
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