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]+ 318.22164 178.7
[M+Na]+ 340.20358 181.6
[M-H]- 316.20708 184.6
[M+NH4]+ 335.24818 192.2
[M+K]+ 356.17752 177.7
[M+H-H2O]+ 300.21162 170.5
[M+HCOO]- 362.21256 192.3
[M+CH3COO]- 376.22821 186.7
[M+Na-2H]- 338.18903 181.7
[M]+ 317.21381 170.0
[M]- 317.21491 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