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]+ 264.174676 163.1
[M+Na]+ 286.156618 168.0
[M-H]- 262.160124 167.9
[M+NH4]+ 281.201223 180.5
[M+K]+ 302.130558 163.9
[M+H-H2O]+ 246.164660 155.6
[M+HCOO]- 308.165601 176.6
[M+CH3COO]- 322.181251 172.4
[M+Na-2H]- 284.142066 169.9
[M]+ 263.16685142 153.0
[M]- 263.16794858 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