CID 14661

1224-44-8

Structural Information

Molecular Formula
C18H22N2
SMILES
CCC(CCN(C)C)(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C18H22N2/c1-4-18(14-19,12-13-20(2)3)17-11-7-9-15-8-5-6-10-16(15)17/h5-11H,4,12-13H2,1-3H3
InChIKey
FWUWEKZHCRWEQW-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-ethyl-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.17828 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 170.9
[M+Na]+ 289.16750 179.0
[M-H]- 265.17100 175.0
[M+NH4]+ 284.21210 186.9
[M+K]+ 305.14144 173.6
[M+H-H2O]+ 249.17554 157.3
[M+HCOO]- 311.17648 188.6
[M+CH3COO]- 325.19213 216.4
[M+Na-2H]- 287.15295 175.7
[M]+ 266.17773 167.5
[M]- 266.17883 167.5
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