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]+ 249.13863 155.9
[M+Na]+ 271.12057 164.0
[M-H]- 247.12407 162.0
[M+NH4]+ 266.16517 172.3
[M+K]+ 287.09451 157.6
[M+H-H2O]+ 231.12861 147.0
[M+HCOO]- 293.12955 178.9
[M+CH3COO]- 307.14520 167.9
[M+Na-2H]- 269.10602 164.6
[M]+ 248.13080 154.5
[M]- 248.13190 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.