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 184.5
[M+Na]+ 348.22979 188.2
[M-H]- 324.23329 188.9
[M+NH4]+ 343.27439 200.0
[M+K]+ 364.20373 184.7
[M+H-H2O]+ 308.23783 176.6
[M+HCOO]- 370.23877 203.8
[M+CH3COO]- 384.25442 219.6
[M+Na-2H]- 346.21524 187.3
[M]+ 325.24002 188.2
[M]- 325.24112 188.2
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.