CID 131752937

Clausenatine a

Structural Information

Molecular Formula
C23H25NO2
SMILES
CC(=CCC/C(=C\CC1=C(C(=CC2=C1NC3=CC=CC=C32)C=O)O)/C)C
InChI
InChI=1S/C23H25NO2/c1-15(2)7-6-8-16(3)11-12-19-22-20(13-17(14-25)23(19)26)18-9-4-5-10-21(18)24-22/h4-5,7,9-11,13-14,24,26H,6,8,12H2,1-3H3/b16-11-
InChIKey
HYKYGURKMDNXGG-WJDWOHSUSA-N
Compound name
1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-9H-carbazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.18854 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19582 187.5
[M+Na]+ 370.17776 200.1
[M+NH4]+ 365.22236 194.0
[M+K]+ 386.15170 193.7
[M-H]- 346.18126 188.3
[M+Na-2H]- 368.16321 189.9
[M]+ 347.18799 189.3
[M]- 347.18909 189.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.