CID 12164795

N-benzyl-n-(2-quinolinylmethyl)formamide

Structural Information

Molecular Formula
C18H16N2O
SMILES
C1=CC=C(C=C1)CN(CC2=NC3=CC=CC=C3C=C2)C=O
InChI
InChI=1S/C18H16N2O/c21-14-20(12-15-6-2-1-3-7-15)13-17-11-10-16-8-4-5-9-18(16)19-17/h1-11,14H,12-13H2
InChIKey
UCIKFROUISXGMV-UHFFFAOYSA-N
Compound name
N-benzyl-N-(quinolin-2-ylmethyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.12625 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 163.6
[M+Na]+ 299.11547 170.2
[M-H]- 275.11897 170.5
[M+NH4]+ 294.16007 179.0
[M+K]+ 315.08941 165.6
[M+H-H2O]+ 259.12351 153.7
[M+HCOO]- 321.12445 186.9
[M+CH3COO]- 335.14010 175.1
[M+Na-2H]- 297.10092 171.7
[M]+ 276.12570 164.7
[M]- 276.12680 164.7
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.