CID 3510954

9b-(3-chlorophenyl)-2,3,5,9b-tetrahydro-1h-imidazo(2,1-a)isoindol-5-one

Structural Information

Molecular Formula
C16H13ClN2O
SMILES
C1CN2C(=O)C3=CC=CC=C3C2(N1)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C16H13ClN2O/c17-12-5-3-4-11(10-12)16-14-7-2-1-6-13(14)15(20)19(16)9-8-18-16/h1-7,10,18H,8-9H2
InChIKey
UZWOFDBYRWGSKE-UHFFFAOYSA-N
Compound name
9b-(3-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

284.07166 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.078936 165.7
[M+Na]+ 307.060878 176.4
[M-H]- 283.064384 170.7
[M+NH4]+ 302.105483 186.5
[M+K]+ 323.034818 168.6
[M+H-H2O]+ 267.068920 158.1
[M+HCOO]- 329.069861 179.3
[M+CH3COO]- 343.085511 177.3
[M+Na-2H]- 305.046326 168.2
[M]+ 284.07111142 165.2
[M]- 284.07220858 165.2
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