CID 17761

2809-47-4

Structural Information

Molecular Formula
C16H25N3
SMILES
CN(C)CCC(CCN(C)C)(C#N)C1=CC=CC=C1
InChI
InChI=1S/C16H25N3/c1-18(2)12-10-16(14-17,11-13-19(3)4)15-8-6-5-7-9-15/h5-9H,10-13H2,1-4H3
InChIKey
LIESQWIGGCWDMF-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.20483 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.21211 168.3
[M+Na]+ 282.19405 173.8
[M-H]- 258.19755 172.7
[M+NH4]+ 277.23865 183.7
[M+K]+ 298.16799 172.3
[M+H-H2O]+ 242.20209 154.0
[M+HCOO]- 304.20303 188.0
[M+CH3COO]- 318.21868 220.0
[M+Na-2H]- 280.17950 171.5
[M]+ 259.20428 165.5
[M]- 259.20538 165.5
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