CID 505015

N,n-dimethyl-4-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide

Structural Information

Molecular Formula
C27H24N4O3
SMILES
CN(C)C(=O)C1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C27H24N4O3/c1-30(2)27(34)21-10-12-23(13-11-21)31(25(33)17-24(32)26-28-14-5-15-29-26)18-19-8-9-20-6-3-4-7-22(20)16-19/h3-16H,17-18H2,1-2H3
InChIKey
DRWPGIHRNLSUNB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[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

452.18484 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.19212 209.3
[M+Na]+ 475.17406 212.1
[M-H]- 451.17756 218.5
[M+NH4]+ 470.21866 215.0
[M+K]+ 491.14800 208.5
[M+H-H2O]+ 435.18210 196.0
[M+HCOO]- 497.18304 228.1
[M+CH3COO]- 511.19869 243.4
[M+Na-2H]- 473.15951 211.6
[M]+ 452.18429 211.4
[M]- 452.18539 211.4
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.