CID 3050936

67196-57-0

Structural Information

Molecular Formula
C26H32N2O2
SMILES
CC(=O)OCCC1CN(CCN1)CCC=C2C3=CC=CC=C3CCC4=CC=CC=C42
InChI
InChI=1S/C26H32N2O2/c1-20(29)30-18-14-23-19-28(17-15-27-23)16-6-11-26-24-9-4-2-7-21(24)12-13-22-8-3-5-10-25(22)26/h2-5,7-11,23,27H,6,12-19H2,1H3
InChIKey
ZBWADELANXSGLF-UHFFFAOYSA-N
Compound name
2-[4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]piperazin-2-yl]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.24637 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.253646 201.5
[M+Na]+ 427.235588 203.4
[M-H]- 403.239094 204.7
[M+NH4]+ 422.280193 209.7
[M+K]+ 443.209528 199.9
[M+H-H2O]+ 387.243630 191.5
[M+HCOO]- 449.244571 210.9
[M+CH3COO]- 463.260221 206.9
[M+Na-2H]- 425.221036 201.2
[M]+ 404.24582142 194.4
[M]- 404.24691858 194.4
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.