CID 3062363

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

Structural Information

Molecular Formula
C18H17N3O2
SMILES
COC1=CC=C(C=C1)C2CN3C(=O)CN=C3NC4=CC=CC=C24
InChI
InChI=1S/C18H17N3O2/c1-23-13-8-6-12(7-9-13)15-11-21-17(22)10-19-18(21)20-16-5-3-2-4-14(15)16/h2-9,15H,10-11H2,1H3,(H,19,20)
InChIKey
PFOVYONXMAKEJL-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-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

307.13208 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.139356 173.2
[M+Na]+ 330.121298 181.4
[M-H]- 306.124804 178.1
[M+NH4]+ 325.165903 186.4
[M+K]+ 346.095238 178.6
[M+H-H2O]+ 290.129340 163.9
[M+HCOO]- 352.130281 188.4
[M+CH3COO]- 366.145931 183.0
[M+Na-2H]- 328.106746 176.3
[M]+ 307.13153142 169.6
[M]- 307.13262858 169.6
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.