CID 3062369

Chloro-8 (chloro-3 phenyl)-6 tetrahydro-2,3,5,6 1h-imidazo(2,1-b)benzodiazepine-1,3 one-3 hcl

Structural Information

Molecular Formula
C17H13Cl2N3O
SMILES
C1C(C2=C(C=CC(=C2)Cl)NC3=NCC(=O)N31)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C17H13Cl2N3O/c18-11-3-1-2-10(6-11)14-9-22-16(23)8-20-17(22)21-15-5-4-12(19)7-13(14)15/h1-7,14H,8-9H2,(H,20,21)
InChIKey
ZXASXTLVMHTOSF-UHFFFAOYSA-N
Compound name
8-chloro-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

345.04358 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.05086 177.5
[M+Na]+ 368.03280 189.6
[M-H]- 344.03630 181.3
[M+NH4]+ 363.07740 191.1
[M+K]+ 384.00674 184.5
[M+H-H2O]+ 328.04084 167.7
[M+HCOO]- 390.04178 183.9
[M+CH3COO]- 404.05743 187.2
[M+Na-2H]- 366.01825 179.3
[M]+ 345.04303 175.7
[M]- 345.04413 175.7
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.