CID 3016951

55296-92-9

Structural Information

Molecular Formula
C18H20N2
SMILES
C1=CC=C(C=C1)CCCN(CCC#N)C2=CC=CC=C2
InChI
InChI=1S/C18H20N2/c19-14-8-16-20(18-12-5-2-6-13-18)15-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13H,7-8,11,15-16H2
InChIKey
QGUBGDBSEFJAQN-UHFFFAOYSA-N
Compound name
3-[N-(3-phenylpropyl)anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.16266 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.169936 167.1
[M+Na]+ 287.151878 174.0
[M-H]- 263.155384 172.3
[M+NH4]+ 282.196483 181.5
[M+K]+ 303.125818 168.1
[M+H-H2O]+ 247.159920 152.0
[M+HCOO]- 309.160861 187.5
[M+CH3COO]- 323.176511 213.5
[M+Na-2H]- 285.137326 171.6
[M]+ 264.16211142 162.5
[M]- 264.16320858 162.5
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

No patent data available for this compound.