CID 12164795

849798-00-1

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]+ 277.133526 163.6
[M+Na]+ 299.115468 170.2
[M-H]- 275.118974 170.5
[M+NH4]+ 294.160073 179.0
[M+K]+ 315.089408 165.6
[M+H-H2O]+ 259.123510 153.7
[M+HCOO]- 321.124451 186.9
[M+CH3COO]- 335.140101 175.1
[M+Na-2H]- 297.100916 171.7
[M]+ 276.12570142 164.7
[M]- 276.12679858 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.