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]+ 368.22203 192.0
[M+Na]+ 390.20397 203.1
[M+NH4]+ 385.24857 201.3
[M+K]+ 406.17791 195.2
[M-H]- 366.20747 196.7
[M+Na-2H]- 388.18942 195.6
[M]+ 367.21420 195.0
[M]- 367.21530 195.0
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.