CID 23226

Alpha-(3-(diethylamino)propyl)-1-naphthaleneacetonitrile

Structural Information

Molecular Formula
C19H24N2
SMILES
CCN(CC)CCCC(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C19H24N2/c1-3-21(4-2)14-8-11-17(15-20)19-13-7-10-16-9-5-6-12-18(16)19/h5-7,9-10,12-13,17H,3-4,8,11,14H2,1-2H3
InChIKey
CSVKNSIMGXTYHJ-UHFFFAOYSA-N
Compound name
5-(diethylamino)-2-naphthalen-1-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 172.5
[M+Na]+ 303.183158 179.7
[M-H]- 279.186664 176.2
[M+NH4]+ 298.227763 187.9
[M+K]+ 319.157098 173.9
[M+H-H2O]+ 263.191200 158.3
[M+HCOO]- 325.192141 190.5
[M+CH3COO]- 339.207791 219.5
[M+Na-2H]- 301.168606 175.4
[M]+ 280.19339142 169.4
[M]- 280.19448858 169.4
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.