CID 31470

22649-61-2

Structural Information

Molecular Formula
C23H29N
SMILES
C1CCN(CC1)CCCC2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C23H29N/c1-6-16-24(17-7-1)18-8-13-23-21-11-4-2-9-19(21)14-15-20-10-3-5-12-22(20)23/h2-5,9-12,23H,1,6-8,13-18H2
InChIKey
DDBYAEYUYNLLAM-UHFFFAOYSA-N
Compound name
1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.23 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.23728 182.1
[M+Na]+ 342.21922 194.5
[M+NH4]+ 337.26382 191.5
[M+K]+ 358.19316 185.1
[M-H]- 318.22272 187.8
[M+Na-2H]- 340.20467 188.9
[M]+ 319.22945 185.7
[M]- 319.23055 185.7
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.