CID 37280

35852-20-1

Structural Information

Molecular Formula
C19H24NO2
SMILES
C[N+](C)(CCOC1C2=CC=CC=C2CCC3=CC=CC=C13)O
InChI
InChI=1S/C19H24NO2/c1-20(2,21)13-14-22-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10,19,21H,11-14H2,1-2H3/q+1
InChIKey
VMWLNQOFKFYQFR-UHFFFAOYSA-N
Compound name
hydroxy-dimethyl-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1807 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18798 169.8
[M+Na]+ 321.16992 174.5
[M-H]- 297.17342 176.1
[M+NH4]+ 316.21452 186.0
[M+K]+ 337.14386 169.7
[M+H-H2O]+ 281.17796 167.4
[M+HCOO]- 343.17890 188.1
[M+CH3COO]- 357.19455 202.2
[M+Na-2H]- 319.15537 179.4
[M]+ 298.18015 167.2
[M]- 298.18125 167.2
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.