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 183.9
[M+Na]+ 331.21447 190.5
[M-H]- 307.21797 187.5
[M+NH4]+ 326.25907 198.3
[M+K]+ 347.18841 184.9
[M+H-H2O]+ 291.22251 169.9
[M+HCOO]- 353.22345 199.7
[M+CH3COO]- 367.23910 225.2
[M+Na-2H]- 329.19992 186.2
[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.