CID 201786

2-(2-(1-naphthyl)-4-pentenyloxy)triethylamine phosphate

Structural Information

Molecular Formula
C21H29NO
SMILES
CCN(CC)CCOCC(CC=C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C21H29NO/c1-4-10-19(17-23-16-15-22(5-2)6-3)21-14-9-12-18-11-7-8-13-20(18)21/h4,7-9,11-14,19H,1,5-6,10,15-17H2,2-3H3
InChIKey
MTLYNVFOUQXNOC-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(2-naphthalen-1-ylpent-4-enoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2249 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.232176 180.3
[M+Na]+ 334.214118 183.9
[M-H]- 310.217624 184.5
[M+NH4]+ 329.258723 196.1
[M+K]+ 350.188058 180.0
[M+H-H2O]+ 294.222160 171.8
[M+HCOO]- 356.223101 201.4
[M+CH3COO]- 370.238751 216.2
[M+Na-2H]- 332.199566 182.7
[M]+ 311.22435142 184.0
[M]- 311.22544858 184.0
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.