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

4511
Patents

337.2042 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 180.4
[M+Na]+ 360.19342 183.3
[M-H]- 336.19692 184.4
[M+NH4]+ 355.23802 194.1
[M+K]+ 376.16736 182.1
[M+H-H2O]+ 320.20146 174.5
[M+HCOO]- 382.20240 197.5
[M+CH3COO]- 396.21805 214.4
[M+Na-2H]- 358.17887 184.1
[M]+ 337.20365 177.7
[M]- 337.20475 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.