CID 3062492

5h-imidazo(2,1-c)(1,4)benzodiazepine, 7-chloro-

Structural Information

Molecular Formula
C11H8ClN3
SMILES
C1C2=C(C=CC(=C2)Cl)N=CC3=NC=CN31
InChI
InChI=1S/C11H8ClN3/c12-9-1-2-10-8(5-9)7-15-4-3-13-11(15)6-14-10/h1-6H,7H2
InChIKey
OUSSAKHVCAAATO-UHFFFAOYSA-N
Compound name
8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.04068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.047956 142.4
[M+Na]+ 240.029898 154.3
[M-H]- 216.033404 145.5
[M+NH4]+ 235.074503 161.0
[M+K]+ 256.003838 151.8
[M+H-H2O]+ 200.037940 134.0
[M+HCOO]- 262.038881 158.0
[M+CH3COO]- 276.054531 155.3
[M+Na-2H]- 238.015346 150.4
[M]+ 217.04013142 142.4
[M]- 217.04122858 142.4
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.