CID 23164

6699-18-9

Structural Information

Molecular Formula
C22H30N2
SMILES
CCN(CC)CCCC(C#N)(C1=CC=CC2=CC=CC=C21)C(C)C
InChI
InChI=1S/C22H30N2/c1-5-24(6-2)16-10-15-22(17-23,18(3)4)21-14-9-12-19-11-7-8-13-20(19)21/h7-9,11-14,18H,5-6,10,15-16H2,1-4H3
InChIKey
MJRCSPPJFWJOQU-UHFFFAOYSA-N
Compound name
5-(diethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2409 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.24818 185.0
[M+Na]+ 345.23012 196.0
[M+NH4]+ 340.27472 189.8
[M+K]+ 361.20406 184.7
[M-H]- 321.23362 181.0
[M+Na-2H]- 343.21557 187.9
[M]+ 322.24035 184.8
[M]- 322.24145 184.8
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.