CID 19159

3582-42-1

Structural Information

Molecular Formula
C19H24N2
SMILES
CC(C)C(CCN(C)C)(C#N)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C19H24N2/c1-15(2)19(14-20,11-12-21(3)4)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13,15H,11-12H2,1-4H3
InChIKey
YPOZUUUUPHSOOI-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20122 175.8
[M+Na]+ 303.18316 183.3
[M-H]- 279.18666 179.8
[M+NH4]+ 298.22776 191.3
[M+K]+ 319.15710 178.1
[M+H-H2O]+ 263.19120 162.2
[M+HCOO]- 325.19214 192.3
[M+CH3COO]- 339.20779 219.9
[M+Na-2H]- 301.16861 179.1
[M]+ 280.19339 172.2
[M]- 280.19449 172.2
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.