CID 17666

2746-76-1

Structural Information

Molecular Formula
C20H24N2O
SMILES
CCC(CCN1CCOCC1)(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H24N2O/c1-2-20(16-21,10-11-22-12-14-23-15-13-22)19-9-5-7-17-6-3-4-8-18(17)19/h3-9H,2,10-15H2,1H3
InChIKey
SCPZOIWRCCWRND-UHFFFAOYSA-N
Compound name
2-ethyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 181.7
[M+Na]+ 331.17809 194.2
[M+NH4]+ 326.22269 186.6
[M+K]+ 347.15203 182.7
[M-H]- 307.18159 179.4
[M+Na-2H]- 329.16354 185.3
[M]+ 308.18832 182.2
[M]- 308.18942 182.2
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.