CID 206631

28321-35-9

Structural Information

Molecular Formula
C21H27NO2
SMILES
CCCC(CCN1CCOCC1)(C=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H27NO2/c1-2-10-21(17-23,11-12-22-13-15-24-16-14-22)20-9-5-7-18-6-3-4-8-19(18)20/h3-9,17H,2,10-16H2,1H3
InChIKey
YPSZKUZKSJWNQY-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 181.0
[M+Na]+ 348.19342 184.4
[M-H]- 324.19692 185.8
[M+NH4]+ 343.23802 192.7
[M+K]+ 364.16736 180.6
[M+H-H2O]+ 308.20146 171.4
[M+HCOO]- 370.20240 195.1
[M+CH3COO]- 384.21805 209.1
[M+Na-2H]- 346.17887 186.1
[M]+ 325.20365 179.8
[M]- 325.20475 179.8
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.