CID 49793

Brn 2749963

Structural Information

Molecular Formula
C20H26N2
SMILES
CC(C)C(CCN(C)C)(CC1=CC=CC2=CC=CC=C21)C#N
InChI
InChI=1S/C20H26N2/c1-16(2)20(15-21,12-13-22(3)4)14-18-10-7-9-17-8-5-6-11-19(17)18/h5-11,16H,12-14H2,1-4H3
InChIKey
PDXNGPZVAHRNQG-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-3-methyl-2-(naphthalen-1-ylmethyl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2096 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.216876 179.9
[M+Na]+ 317.198818 186.9
[M-H]- 293.202324 183.7
[M+NH4]+ 312.243423 194.8
[M+K]+ 333.172758 181.5
[M+H-H2O]+ 277.206860 166.0
[M+HCOO]- 339.207801 196.0
[M+CH3COO]- 353.223451 222.5
[M+Na-2H]- 315.184266 182.6
[M]+ 294.20905142 176.5
[M]- 294.21014858 176.5
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.