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]+ 509.25472 225.9
[M+Na]+ 531.23666 226.4
[M-H]- 507.24016 234.4
[M+NH4]+ 526.28126 229.1
[M+K]+ 547.21060 222.9
[M+H-H2O]+ 491.24470 212.1
[M+HCOO]- 553.24564 242.3
[M+CH3COO]- 567.26129 255.4
[M+Na-2H]- 529.22211 225.2
[M]+ 508.24689 228.7
[M]- 508.24799 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.