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 179.2
[M+Na]+ 342.21922 181.7
[M-H]- 318.22272 185.1
[M+NH4]+ 337.26382 192.7
[M+K]+ 358.19316 178.4
[M+H-H2O]+ 302.22726 170.9
[M+HCOO]- 364.22820 192.7
[M+CH3COO]- 378.24385 187.2
[M+Na-2H]- 340.20467 182.3
[M]+ 319.22945 171.3
[M]- 319.23055 171.3
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.