CID 206631

Brn 1148843

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]+ 326.211476 181.0
[M+Na]+ 348.193418 184.4
[M-H]- 324.196924 185.8
[M+NH4]+ 343.238023 192.7
[M+K]+ 364.167358 180.6
[M+H-H2O]+ 308.201460 171.4
[M+HCOO]- 370.202401 195.1
[M+CH3COO]- 384.218051 209.1
[M+Na-2H]- 346.178866 186.1
[M]+ 325.20365142 179.8
[M]- 325.20474858 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.