CID 44152638

Uk 786

Structural Information

Molecular Formula
C20H23N
SMILES
C1CCN(CC1)C2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C20H23N/c1-6-14-21(15-7-1)20-18-10-4-2-8-16(18)12-13-17-9-3-5-11-19(17)20/h2-5,8-11,20H,1,6-7,12-15H2
InChIKey
SWEXRMKEMIMJHL-UHFFFAOYSA-N
Compound name
1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

277.18304 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19032 166.1
[M+Na]+ 300.17226 169.9
[M-H]- 276.17576 172.6
[M+NH4]+ 295.21686 181.3
[M+K]+ 316.14620 167.2
[M+H-H2O]+ 260.18030 158.5
[M+HCOO]- 322.18124 180.6
[M+CH3COO]- 336.19689 175.4
[M+Na-2H]- 298.15771 170.8
[M]+ 277.18249 157.3
[M]- 277.18359 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe