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]+ 295.21688 176.9
[M+Na]+ 317.19882 188.3
[M+NH4]+ 312.24342 181.9
[M+K]+ 333.17276 177.3
[M-H]- 293.20232 173.0
[M+Na-2H]- 315.18427 180.3
[M]+ 294.20905 176.7
[M]- 294.21015 176.7
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.