CID 462461

N-(p-tolylmethyl)quinolin-3-amine

Structural Information

Molecular Formula
C17H16N2
SMILES
CC1=CC=C(C=C1)CNC2=CC3=CC=CC=C3N=C2
InChI
InChI=1S/C17H16N2/c1-13-6-8-14(9-7-13)11-18-16-10-15-4-2-3-5-17(15)19-12-16/h2-10,12,18H,11H2,1H3
InChIKey
FGSNHLDFOBXRQR-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]quinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.13135 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13863 156.5
[M+Na]+ 271.12057 164.3
[M-H]- 247.12407 162.6
[M+NH4]+ 266.16517 173.0
[M+K]+ 287.09451 158.5
[M+H-H2O]+ 231.12861 147.5
[M+HCOO]- 293.12955 179.3
[M+CH3COO]- 307.14520 168.5
[M+Na-2H]- 269.10602 165.2
[M]+ 248.13080 155.8
[M]- 248.13190 155.8
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.