CID 23226

6779-88-0

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]+ 281.20122 172.5
[M+Na]+ 303.18316 179.7
[M-H]- 279.18666 176.2
[M+NH4]+ 298.22776 187.9
[M+K]+ 319.15710 173.9
[M+H-H2O]+ 263.19120 158.3
[M+HCOO]- 325.19214 190.5
[M+CH3COO]- 339.20779 219.5
[M+Na-2H]- 301.16861 175.4
[M]+ 280.19339 169.4
[M]- 280.19449 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.