CID 39624

50332-22-4

Structural Information

Molecular Formula
C20H16ClNO3
SMILES
C1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC(=CC=C5)Cl)OCO4
InChI
InChI=1S/C20H16ClNO3/c21-13-5-3-4-12(8-13)20(23)22-16-7-2-1-6-14(16)15-9-18-19(10-17(15)22)25-11-24-18/h3-5,8-10H,1-2,6-7,11H2
InChIKey
JOJZXJOMLHABPO-UHFFFAOYSA-N
Compound name
(3-chlorophenyl)-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-b]carbazol-9-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.08188 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.08916 177.8
[M+Na]+ 376.07110 193.7
[M+NH4]+ 371.11570 187.7
[M+K]+ 392.04504 189.2
[M-H]- 352.07460 185.2
[M+Na-2H]- 374.05655 182.2
[M]+ 353.08133 182.7
[M]- 353.08243 182.7
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.