CID 212103

23918-74-3

Structural Information

Molecular Formula
C17H16N2
SMILES
C1=CC=C(C=C1)CCN2C=CC(=N)C3=CC=CC=C32
InChI
InChI=1S/C17H16N2/c18-16-11-13-19(17-9-5-4-8-15(16)17)12-10-14-6-2-1-3-7-14/h1-9,11,13,18H,10,12H2
InChIKey
OUHYSECKWHNPNT-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)quinolin-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.13135 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.138626 155.9
[M+Na]+ 271.120568 164.0
[M-H]- 247.124074 162.0
[M+NH4]+ 266.165173 172.3
[M+K]+ 287.094508 157.6
[M+H-H2O]+ 231.128610 147.0
[M+HCOO]- 293.129551 178.9
[M+CH3COO]- 307.145201 167.9
[M+Na-2H]- 269.106016 164.6
[M]+ 248.13080142 154.5
[M]- 248.13189858 154.5
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.