CID 3062361

(chloro-4 phenyl)-6 tetrahydro-2,3,5,6 1h-imidazo(2,1-b)benzodiazepine-1,3 one-3 chlorhydrate

Structural Information

Molecular Formula
C17H14ClN3O
SMILES
C1C(C2=CC=CC=C2NC3=NCC(=O)N31)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H14ClN3O/c18-12-7-5-11(6-8-12)14-10-21-16(22)9-19-17(21)20-15-4-2-1-3-13(14)15/h1-8,14H,9-10H2,(H,19,20)
InChIKey
FDAUDDMEXBTDPW-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-2,5,6,11-tetrahydroimidazo[2,1-b][1,3]benzodiazepin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.08255 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08983 170.6
[M+Na]+ 334.07177 184.1
[M+NH4]+ 329.11637 178.4
[M+K]+ 350.04571 178.6
[M-H]- 310.07527 173.6
[M+Na-2H]- 332.05722 176.6
[M]+ 311.08200 173.7
[M]- 311.08310 173.7
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.