CID 39623

Brn 1037043

Structural Information

Molecular Formula
C20H16ClNO3
SMILES
C1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=C(C=C5)Cl)OCO4
InChI
InChI=1S/C20H16ClNO3/c21-13-7-5-12(6-8-13)20(23)22-16-4-2-1-3-14(16)15-9-18-19(10-17(15)22)25-11-24-18/h5-10H,1-4,11H2
InChIKey
WRXIIEZGQHAMCP-UHFFFAOYSA-N
Compound name
(4-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 181.3
[M+Na]+ 376.07110 191.5
[M-H]- 352.07460 190.9
[M+NH4]+ 371.11570 197.6
[M+K]+ 392.04504 187.1
[M+H-H2O]+ 336.07914 174.8
[M+HCOO]- 398.08008 193.3
[M+CH3COO]- 412.09573 192.8
[M+Na-2H]- 374.05655 182.7
[M]+ 353.08133 185.8
[M]- 353.08243 185.8
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.