CID 49397

Brn 1350486

Structural Information

Molecular Formula
C21H25N
SMILES
C1CCNC(C1)CC2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C21H25N/c1-3-10-19-16(7-1)12-13-17-8-2-4-11-20(17)21(19)15-18-9-5-6-14-22-18/h1-4,7-8,10-11,18,21-22H,5-6,9,12-15H2
InChIKey
IPDFJOQJFAQAIC-UHFFFAOYSA-N
Compound name
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1987 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20598 170.4
[M+Na]+ 314.18792 173.5
[M-H]- 290.19142 175.5
[M+NH4]+ 309.23252 184.5
[M+K]+ 330.16186 169.9
[M+H-H2O]+ 274.19596 163.0
[M+HCOO]- 336.19690 183.2
[M+CH3COO]- 350.21255 178.7
[M+Na-2H]- 312.17337 174.3
[M]+ 291.19815 160.4
[M]- 291.19925 160.4
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.