CID 39626

5-benzoyl-6,7,8,9-tetrahydro-5h-1,3-dioxolo(4,5-b)carbazole

Structural Information

Molecular Formula
C20H17NO3
SMILES
C1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=CC=C5)OCO4
InChI
InChI=1S/C20H17NO3/c22-20(13-6-2-1-3-7-13)21-16-9-5-4-8-14(16)15-10-18-19(11-17(15)21)24-12-23-18/h1-3,6-7,10-11H,4-5,8-9,12H2
InChIKey
WZBINVVSXDHJJT-UHFFFAOYSA-N
Compound name
phenyl(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

319.12085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12813 171.6
[M+Na]+ 342.11007 186.3
[M+NH4]+ 337.15467 181.2
[M+K]+ 358.08401 182.6
[M-H]- 318.11357 178.9
[M+Na-2H]- 340.09552 176.2
[M]+ 319.12030 175.9
[M]- 319.12140 175.9
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.