CID 250660

11h-isoindolo[2,1-a]benzimidazol-11-one

Structural Information

Molecular Formula
C14H8N2O
SMILES
C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3C2=O
InChI
InChI=1S/C14H8N2O/c17-14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16(13)14/h1-8H
InChIKey
SDLWGEXLAMKZHI-UHFFFAOYSA-N
Compound name
isoindolo[2,3-a]benzimidazol-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

93
Patents

220.06366 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07094 145.8
[M+Na]+ 243.05288 159.1
[M-H]- 219.05638 151.2
[M+NH4]+ 238.09748 168.6
[M+K]+ 259.02682 153.5
[M+H-H2O]+ 203.06092 139.0
[M+HCOO]- 265.06186 169.0
[M+CH3COO]- 279.07751 160.4
[M+Na-2H]- 241.03833 153.0
[M]+ 220.06311 149.8
[M]- 220.06421 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe