CID 462460

N-benzylquinolin-3-amine

Structural Information

Molecular Formula
C16H14N2
SMILES
C1=CC=C(C=C1)CNC2=CC3=CC=CC=C3N=C2
InChI
InChI=1S/C16H14N2/c1-2-6-13(7-3-1)11-17-15-10-14-8-4-5-9-16(14)18-12-15/h1-10,12,17H,11H2
InChIKey
WFLLCYYTXLDQAN-UHFFFAOYSA-N
Compound name
N-benzylquinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

234.11569 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12297 151.2
[M+Na]+ 257.10491 158.6
[M-H]- 233.10841 157.1
[M+NH4]+ 252.14951 168.0
[M+K]+ 273.07885 153.0
[M+H-H2O]+ 217.11295 142.4
[M+HCOO]- 279.11389 174.5
[M+CH3COO]- 293.12954 163.4
[M+Na-2H]- 255.09036 161.4
[M]+ 234.11514 149.9
[M]- 234.11624 149.9
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