CID 455107

5810-66-2

Structural Information

Molecular Formula
C16H14N2O
SMILES
C1CN2C(=O)C3=CC=CC=C3C2(N1)C4=CC=CC=C4
InChI
InChI=1S/C16H14N2O/c19-15-13-8-4-5-9-14(13)16(17-10-11-18(15)16)12-6-2-1-3-7-12/h1-9,17H,10-11H2
InChIKey
VHOLDVWNAVAZQQ-UHFFFAOYSA-N
Compound name
9b-phenyl-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

16
Patents

250.11061 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 157.4
[M+Na]+ 273.09983 166.6
[M-H]- 249.10333 162.5
[M+NH4]+ 268.14443 178.6
[M+K]+ 289.07377 160.4
[M+H-H2O]+ 233.10787 149.5
[M+HCOO]- 295.10881 175.9
[M+CH3COO]- 309.12446 169.3
[M+Na-2H]- 271.08528 161.3
[M]+ 250.11006 154.6
[M]- 250.11116 154.6
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