CID 17394

Brn 2153892

Structural Information

Molecular Formula
C21H28N2
SMILES
CCN(CC)CCC(C#N)(C1=CC=CC2=CC=CC=C21)C(C)C
InChI
InChI=1S/C21H28N2/c1-5-23(6-2)15-14-21(16-22,17(3)4)20-13-9-11-18-10-7-8-12-19(18)20/h7-13,17H,5-6,14-15H2,1-4H3
InChIKey
QAMAQCXZZPJWOJ-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-3-methyl-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 181.0
[M+Na]+ 331.21447 192.2
[M+NH4]+ 326.25907 185.8
[M+K]+ 347.18841 181.0
[M-H]- 307.21797 177.0
[M+Na-2H]- 329.19992 184.1
[M]+ 308.22470 180.8
[M]- 308.22580 180.8
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.