CID 49396

Brn 1653109

Structural Information

Molecular Formula
C23H27N
SMILES
C1CCN(CC1)CCC=C2C3=CC=CC=C3CCC4=CC=CC=C42
InChI
InChI=1S/C23H27N/c1-6-16-24(17-7-1)18-8-13-23-21-11-4-2-9-19(21)14-15-20-10-3-5-12-22(20)23/h2-5,9-13H,1,6-8,14-18H2
InChIKey
VKOFJZUAAYPACM-UHFFFAOYSA-N
Compound name
1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.21436 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.221636 178.7
[M+Na]+ 340.203578 181.6
[M-H]- 316.207084 184.6
[M+NH4]+ 335.248183 192.2
[M+K]+ 356.177518 177.7
[M+H-H2O]+ 300.211620 170.5
[M+HCOO]- 362.212561 192.3
[M+CH3COO]- 376.228211 186.7
[M+Na-2H]- 338.189026 181.7
[M]+ 317.21381142 170.0
[M]- 317.21490858 170.0
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