CID 51482

12h-dibenzo(a,d)cyclooctene, 5,6,7-trihydro-12-(1-methyl-2-piperidyl)ethylidene-, hydrochloride

Structural Information

Molecular Formula
C24H29N
SMILES
CN1CCCCC1CC=C2C3=CC=CC=C3CCCC4=CC=CC=C42
InChI
InChI=1S/C24H29N/c1-25-18-7-6-13-21(25)16-17-24-22-14-4-2-9-19(22)11-8-12-20-10-3-5-15-23(20)24/h2-5,9-10,14-15,17,21H,6-8,11-13,16,18H2,1H3
InChIKey
SUNPGJPUJRRIFX-UHFFFAOYSA-N
Compound name
1-methyl-2-[2-(2-tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaenylidene)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.23 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.23728 173.9
[M+Na]+ 354.21922 177.1
[M-H]- 330.22272 176.1
[M+NH4]+ 349.26382 180.1
[M+K]+ 370.19316 174.5
[M+H-H2O]+ 314.22726 168.0
[M+HCOO]- 376.22820 179.4
[M+CH3COO]- 390.24385 176.5
[M+Na-2H]- 352.20467 172.1
[M]+ 331.22945 170.6
[M]- 331.23055 170.6
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.