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]+ 312.23218 180.3
[M+Na]+ 334.21412 183.9
[M-H]- 310.21762 184.5
[M+NH4]+ 329.25872 196.1
[M+K]+ 350.18806 180.0
[M+H-H2O]+ 294.22216 171.8
[M+HCOO]- 356.22310 201.4
[M+CH3COO]- 370.23875 216.2
[M+Na-2H]- 332.19957 182.7
[M]+ 311.22435 184.0
[M]- 311.22545 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.