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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	312.089826	171.9
[M+Na]+	334.071768	182.2
[M-H]-	310.075274	176.4
[M+NH4]+	329.116373	186.0
[M+K]+	350.045708	177.7
[M+H-H2O]+	294.079810	162.4
[M+HCOO]-	356.080751	183.1
[M+CH3COO]-	370.096401	182.0
[M+Na-2H]-	332.057216	175.0
[M]+	311.08200142	168.6
[M]-	311.08309858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.