CID 116195

Spiro(dibenzo(a,d)cycloheptadiene-5,3'-piperidine)

Structural Information

Molecular Formula
C19H21N
SMILES
C1CC2(CNC1)C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C19H21N/c1-3-8-17-15(6-1)10-11-16-7-2-4-9-18(16)19(17)12-5-13-20-14-19/h1-4,6-9,20H,5,10-14H2
InChIKey
LJUPLICWXJARFD-UHFFFAOYSA-N
Compound name
spiro[piperidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.1674 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 163.1
[M+Na]+ 286.15662 168.0
[M-H]- 262.16012 167.9
[M+NH4]+ 281.20122 180.5
[M+K]+ 302.13056 163.9
[M+H-H2O]+ 246.16466 155.6
[M+HCOO]- 308.16560 176.6
[M+CH3COO]- 322.18125 172.4
[M+Na-2H]- 284.14207 169.9
[M]+ 263.16685 153.0
[M]- 263.16795 153.0
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

patents stripe