CID 39625

50332-23-5

Structural Information

Molecular Formula
C20H16BrNO3
SMILES
C1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=C(C=C5)Br)OCO4
InChI
InChI=1S/C20H16BrNO3/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
KCLDYKYYSDEVEY-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-(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

397.03137 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.03865 186.9
[M+Na]+ 420.02059 191.7
[M+NH4]+ 415.06519 192.3
[M+K]+ 435.99453 193.4
[M-H]- 396.02409 191.7
[M+Na-2H]- 418.00604 187.3
[M]+ 397.03082 187.9
[M]- 397.03192 187.9
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.