CID 505020

N-methyl-3-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide

Structural Information

Molecular Formula
C26H22N4O3
SMILES
CNC(=O)C1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C26H22N4O3/c1-27-26(33)21-8-4-9-22(15-21)30(24(32)16-23(31)25-28-12-5-13-29-25)17-18-10-11-19-6-2-3-7-20(19)14-18/h2-15H,16-17H2,1H3,(H,27,33)
InChIKey
MZZVADRFKURPJL-UHFFFAOYSA-N
Compound name
N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.1692 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17648 204.9
[M+Na]+ 461.15842 208.0
[M-H]- 437.16192 212.9
[M+NH4]+ 456.20302 210.6
[M+K]+ 477.13236 203.3
[M+H-H2O]+ 421.16646 191.9
[M+HCOO]- 483.16740 223.6
[M+CH3COO]- 497.18305 237.5
[M+Na-2H]- 459.14387 208.4
[M]+ 438.16865 205.4
[M]- 438.16975 205.4
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.