CID 505012

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

Structural Information

Molecular Formula
C33H28N4O3
SMILES
CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)N(CC3=CC4=CC=CC=C4C=C3)C(=O)CC(=O)C5=NC=CC=N5
InChI
InChI=1S/C33H28N4O3/c1-36(22-24-9-3-2-4-10-24)33(40)28-13-7-14-29(20-28)37(31(39)21-30(38)32-34-17-8-18-35-32)23-25-15-16-26-11-5-6-12-27(26)19-25/h2-20H,21-23H2,1H3
InChIKey
AYTIDTROFAIYGG-UHFFFAOYSA-N
Compound name
N-benzyl-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

528.2161 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.22338 228.3
[M+Na]+ 551.20532 229.0
[M-H]- 527.20882 239.4
[M+NH4]+ 546.24992 229.7
[M+K]+ 567.17926 224.2
[M+H-H2O]+ 511.21336 212.9
[M+HCOO]- 573.21430 245.6
[M+CH3COO]- 587.22995 233.3
[M+Na-2H]- 549.19077 230.1
[M]+ 528.21555 229.0
[M]- 528.21665 229.0
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.