CID 17395

2572-73-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.17828 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.185556 168.5
[M+Na]+ 289.167498 176.1
[M-H]- 265.171004 172.4
[M+NH4]+ 284.212103 184.4
[M+K]+ 305.141438 170.5
[M+H-H2O]+ 249.175540 154.5
[M+HCOO]- 311.176481 186.8
[M+CH3COO]- 325.192131 216.8
[M+Na-2H]- 287.152946 171.9
[M]+ 266.17773142 165.0
[M]- 266.17882858 165.0
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