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]+ 285.07894 165.7
[M+Na]+ 307.06088 176.4
[M-H]- 283.06438 170.7
[M+NH4]+ 302.10548 186.5
[M+K]+ 323.03482 168.6
[M+H-H2O]+ 267.06892 158.1
[M+HCOO]- 329.06986 179.3
[M+CH3COO]- 343.08551 177.3
[M+Na-2H]- 305.04633 168.2
[M]+ 284.07111 165.2
[M]- 284.07221 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