CID 14711

1240-16-0

Structural Information

Molecular Formula
C22H22N2
SMILES
CN(CCC(C#N)C1=CC=CC2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C22H22N2/c1-24(17-18-8-3-2-4-9-18)15-14-20(16-23)22-13-7-11-19-10-5-6-12-21(19)22/h2-13,20H,14-15,17H2,1H3
InChIKey
BFQMJUKUPCJANE-UHFFFAOYSA-N
Compound name
4-[benzyl(methyl)amino]-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.17828 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18556 183.4
[M+Na]+ 337.16750 197.4
[M+NH4]+ 332.21210 189.4
[M+K]+ 353.14144 184.2
[M-H]- 313.17100 182.5
[M+Na-2H]- 335.15295 189.7
[M]+ 314.17773 184.6
[M]- 314.17883 184.6
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.