CID 34870

Amineptine

Structural Information

Molecular Formula
C22H27NO2
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)NCCCCCCC(=O)O
InChI
InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)
InChIKey
ONNOFKFOZAJDHT-UHFFFAOYSA-N
Compound name
7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)heptanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

249
References

4558
Patents

337.2042 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.211476 180.4
[M+Na]+ 360.193418 183.3
[M-H]- 336.196924 184.4
[M+NH4]+ 355.238023 194.1
[M+K]+ 376.167358 182.1
[M+H-H2O]+ 320.201460 174.5
[M+HCOO]- 382.202401 197.5
[M+CH3COO]- 396.218051 214.4
[M+Na-2H]- 358.178866 184.1
[M]+ 337.20365142 177.7
[M]- 337.20474858 177.7
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