CID 99084

28321-32-6

Structural Information

Molecular Formula
C22H31NO
SMILES
CCC(C)C(CCN(CC)CC)(C=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C22H31NO/c1-5-18(4)22(17-24,15-16-23(6-2)7-3)21-14-10-12-19-11-8-9-13-20(19)21/h8-14,17-18H,5-7,15-16H2,1-4H3
InChIKey
COQGZQQXVHLMSC-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.24057 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.24785 183.5
[M+Na]+ 348.22979 195.0
[M+NH4]+ 343.27439 191.5
[M+K]+ 364.20373 186.9
[M-H]- 324.23329 186.7
[M+Na-2H]- 346.21524 189.2
[M]+ 325.24002 186.2
[M]- 325.24112 186.2
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.