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 176.2
[M+Na]+ 331.17809 183.0
[M-H]- 307.18159 179.6
[M+NH4]+ 326.22269 187.2
[M+K]+ 347.15203 176.2
[M+H-H2O]+ 291.18613 160.6
[M+HCOO]- 353.18707 187.4
[M+CH3COO]- 367.20272 215.6
[M+Na-2H]- 329.16354 181.0
[M]+ 308.18832 168.9
[M]- 308.18942 168.9
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.