CID 6912317

79525-38-5

Structural Information

Molecular Formula
C23H29NO3
SMILES
CC1=CC2=C(C=C1)OC3C2(C=C/C(=C/C(=O)OCCN4CCCCC4)/C3)C
InChI
InChI=1S/C23H29NO3/c1-17-6-7-20-19(14-17)23(2)9-8-18(15-21(23)27-20)16-22(25)26-13-12-24-10-4-3-5-11-24/h6-9,14,16,21H,3-5,10-13,15H2,1-2H3/b18-16-
InChIKey
XWKOGJYGQNQZJL-VLGSPTGOSA-N
Compound name
2-piperidin-1-ylethyl (2E)-2-(8,9b-dimethyl-4,4a-dihydrodibenzofuran-3-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.222026 191.9
[M+Na]+ 390.203968 196.0
[M-H]- 366.207474 197.7
[M+NH4]+ 385.248573 206.7
[M+K]+ 406.177908 191.8
[M+H-H2O]+ 350.212010 182.9
[M+HCOO]- 412.212951 203.7
[M+CH3COO]- 426.228601 200.1
[M+Na-2H]- 388.189416 191.4
[M]+ 367.21420142 189.4
[M]- 367.21529858 189.4
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.