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]+ 308.13936 173.2
[M+Na]+ 330.12130 181.4
[M-H]- 306.12480 178.1
[M+NH4]+ 325.16590 186.4
[M+K]+ 346.09524 178.6
[M+H-H2O]+ 290.12934 163.9
[M+HCOO]- 352.13028 188.4
[M+CH3COO]- 366.14593 183.0
[M+Na-2H]- 328.10675 176.3
[M]+ 307.13153 169.6
[M]- 307.13263 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.