CID 3062365

(chloro-3 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(=CC=C4)Cl
InChI
InChI=1S/C17H14ClN3O/c18-12-5-3-4-11(8-12)14-10-21-16(22)9-19-17(21)20-15-7-2-1-6-13(14)15/h1-8,14H,9-10H2,(H,19,20)
InChIKey
OUKBPZOCNSSSSA-UHFFFAOYSA-N
Compound name
6-(3-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 171.9
[M+Na]+ 334.07177 182.2
[M-H]- 310.07527 176.4
[M+NH4]+ 329.11637 186.0
[M+K]+ 350.04571 177.7
[M+H-H2O]+ 294.07981 162.4
[M+HCOO]- 356.08075 183.1
[M+CH3COO]- 370.09640 182.0
[M+Na-2H]- 332.05722 175.0
[M]+ 311.08200 168.6
[M]- 311.08310 168.6
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.