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 188.3
[M+Na]+ 370.17776 196.1
[M-H]- 346.18126 189.7
[M+NH4]+ 365.22236 203.2
[M+K]+ 386.15170 188.0
[M+H-H2O]+ 330.18580 181.2
[M+HCOO]- 392.18674 204.4
[M+CH3COO]- 406.20239 212.5
[M+Na-2H]- 368.16321 187.3
[M]+ 347.18799 190.4
[M]- 347.18909 190.4
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.