CID 99076

30301-13-4

Structural Information

Molecular Formula
C22H29NO2
SMILES
CCCCC(CCN1CCOCC1)(C=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H29NO2/c1-2-3-11-22(18-24,12-13-23-14-16-25-17-15-23)21-10-6-8-19-7-4-5-9-20(19)21/h4-10,18H,2-3,11-17H2,1H3
InChIKey
BPEILMBEJJSNRL-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylhexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 185.6
[M+Na]+ 362.20904 188.5
[M-H]- 338.21254 190.1
[M+NH4]+ 357.25364 196.6
[M+K]+ 378.18298 184.5
[M+H-H2O]+ 322.21708 175.8
[M+HCOO]- 384.21802 199.3
[M+CH3COO]- 398.23367 212.1
[M+Na-2H]- 360.19449 190.1
[M]+ 339.21927 184.7
[M]- 339.22037 184.7
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.