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]+ 326.247846 184.5
[M+Na]+ 348.229788 188.2
[M-H]- 324.233294 188.9
[M+NH4]+ 343.274393 200.0
[M+K]+ 364.203728 184.7
[M+H-H2O]+ 308.237830 176.6
[M+HCOO]- 370.238771 203.8
[M+CH3COO]- 384.254421 219.6
[M+Na-2H]- 346.215236 187.3
[M]+ 325.24002142 188.2
[M]- 325.24111858 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.