CID 505029

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

Structural Information

Molecular Formula
C31H32N4O3
SMILES
CC(C)CCN(C)C(=O)C1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C31H32N4O3/c1-22(2)14-17-34(3)31(38)26-10-6-11-27(19-26)35(29(37)20-28(36)30-32-15-7-16-33-30)21-23-12-13-24-8-4-5-9-25(24)18-23/h4-13,15-16,18-19,22H,14,17,20-21H2,1-3H3
InChIKey
MVAFOUUHDSSBMI-UHFFFAOYSA-N
Compound name
N-methyl-N-(3-methylbutyl)-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

508.24744 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.254716 225.9
[M+Na]+ 531.236658 226.4
[M-H]- 507.240164 234.4
[M+NH4]+ 526.281263 229.1
[M+K]+ 547.210598 222.9
[M+H-H2O]+ 491.244700 212.1
[M+HCOO]- 553.245641 242.3
[M+CH3COO]- 567.261291 255.4
[M+Na-2H]- 529.222106 225.2
[M]+ 508.24689142 228.7
[M]- 508.24798858 228.7
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.