CID 4367867

16147-55-0

Structural Information

Molecular Formula
C20H14N2O
SMILES
C1=CC=C(C=C1)C23C4=CC=CC=C4C(=O)N2C5=CC=CC=C5N3
InChI
InChI=1S/C20H14N2O/c23-19-15-10-4-5-11-16(15)20(14-8-2-1-3-9-14)21-17-12-6-7-13-18(17)22(19)20/h1-13,21H
InChIKey
SVKGEWOKFFPTCI-UHFFFAOYSA-N
Compound name
4b-phenyl-5H-isoindolo[2,1-a]benzimidazol-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.11063 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11791 170.0
[M+Na]+ 321.09985 180.5
[M-H]- 297.10335 176.4
[M+NH4]+ 316.14445 190.1
[M+K]+ 337.07379 172.5
[M+H-H2O]+ 281.10789 161.1
[M+HCOO]- 343.10883 188.0
[M+CH3COO]- 357.12448 181.5
[M+Na-2H]- 319.08530 174.3
[M]+ 298.11008 169.0
[M]- 298.11118 169.0
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

No patent data available for this compound.