CID 9799039

Ren 1869

Structural Information

Molecular Formula
C24H27NO2
SMILES
C1C[C@H](CN(C1)CCC=C2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)O
InChI
InChI=1S/C24H27NO2/c26-24(27)20-9-5-15-25(17-20)16-6-12-23-21-10-3-1-7-18(21)13-14-19-8-2-4-11-22(19)23/h1-4,7-8,10-12,20H,5-6,9,13-17H2,(H,26,27)/t20-/m1/s1
InChIKey
RXWDEUWOJGGNHU-HXUWFJFHSA-N
Compound name
(3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

149
Patents

361.2042 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21148 188.2
[M+Na]+ 384.19342 190.8
[M-H]- 360.19692 193.2
[M+NH4]+ 379.23802 199.4
[M+K]+ 400.16736 187.9
[M+H-H2O]+ 344.20146 180.3
[M+HCOO]- 406.20240 199.6
[M+CH3COO]- 420.21805 195.2
[M+Na-2H]- 382.17887 189.0
[M]+ 361.20365 180.1
[M]- 361.20475 180.1
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