CID 87171

17601-74-0

Structural Information

Molecular Formula
C17H18N2
SMILES
C1=CC=C(C=C1)CCN(CCC#N)C2=CC=CC=C2
InChI
InChI=1S/C17H18N2/c18-13-7-14-19(17-10-5-2-6-11-17)15-12-16-8-3-1-4-9-16/h1-6,8-11H,7,12,14-15H2
InChIKey
ACCLIXSHFMDCLV-UHFFFAOYSA-N
Compound name
3-[N-(2-phenylethyl)anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

250.147 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.154276 163.1
[M+Na]+ 273.136218 170.5
[M-H]- 249.139724 168.6
[M+NH4]+ 268.180823 178.1
[M+K]+ 289.110158 164.8
[M+H-H2O]+ 233.144260 148.2
[M+HCOO]- 295.145201 183.9
[M+CH3COO]- 309.160851 210.8
[M+Na-2H]- 271.121666 168.1
[M]+ 250.14645142 158.3
[M]- 250.14754858 158.3
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.