CID 339032

9h-dibenzo(c,f)imidazo(1,2-a)azepin-9-one

Structural Information

Molecular Formula
C16H10N2O
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N4C2=NC=C4
InChI
InChI=1S/C16H10N2O/c19-15-11-5-1-2-6-12(11)16-17-9-10-18(16)14-8-4-3-7-13(14)15/h1-10H
InChIKey
AYSFVIFYOXIPOH-UHFFFAOYSA-N
Compound name
2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

246.07932 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08660 153.8
[M+Na]+ 269.06854 166.8
[M-H]- 245.07204 160.8
[M+NH4]+ 264.11314 173.1
[M+K]+ 285.04248 163.8
[M+H-H2O]+ 229.07658 147.6
[M+HCOO]- 291.07752 176.4
[M+CH3COO]- 305.09317 167.6
[M+Na-2H]- 267.05399 163.6
[M]+ 246.07877 156.0
[M]- 246.07987 156.0
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

patents stripe