CID 203577

11-(3-piperidinopropyl)-9,10-dihydro-9,10-ethanoanthracene hydrochloride

Structural Information

Molecular Formula
C24H29N
SMILES
C1CCN(CC1)CCCC2CC3C4=CC=CC=C4C2C5=CC=CC=C35
InChI
InChI=1S/C24H29N/c1-6-14-25(15-7-1)16-8-9-18-17-23-19-10-2-4-12-21(19)24(18)22-13-5-3-11-20(22)23/h2-5,10-13,18,23-24H,1,6-9,14-17H2
InChIKey
IMCRPBMCCHQVRY-UHFFFAOYSA-N
Compound name
1-[3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.23 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.23728 176.9
[M+Na]+ 354.21922 177.7
[M-H]- 330.22272 178.6
[M+NH4]+ 349.26382 192.9
[M+K]+ 370.19316 170.7
[M+H-H2O]+ 314.22726 165.0
[M+HCOO]- 376.22820 183.7
[M+CH3COO]- 390.24385 183.4
[M+Na-2H]- 352.20467 182.7
[M]+ 331.22945 173.2
[M]- 331.23055 173.2
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.