CID 24837015

102314-46-5

Structural Information

Molecular Formula
C20H30N2
SMILES
CCN(CC)CCC(C#N)(C1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C20H30N2/c1-3-22(4-2)16-15-20(17-21,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5,7-8,11-12,19H,3-4,6,9-10,13-16H2,1-2H3
InChIKey
VGUTXEYVDQAZOT-UHFFFAOYSA-N
Compound name
2-cyclohexyl-4-(diethylamino)-2-phenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

298.2409 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.24818 178.0
[M+Na]+ 321.23012 181.8
[M-H]- 297.23362 182.6
[M+NH4]+ 316.27472 191.2
[M+K]+ 337.20406 176.5
[M+H-H2O]+ 281.23816 163.3
[M+HCOO]- 343.23910 192.7
[M+CH3COO]- 357.25475 220.1
[M+Na-2H]- 319.21557 179.6
[M]+ 298.24035 170.0
[M]- 298.24145 170.0
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

patents stripe