CID 505041

N-(2-methoxy-ethyl)-n-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-yl-propionyl)-amino]-benzamide

Structural Information

Molecular Formula
C29H28N4O4
SMILES
CN(CCOC)C(=O)C1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C29H28N4O4/c1-32(15-16-37-2)29(36)24-9-5-10-25(18-24)33(27(35)19-26(34)28-30-13-6-14-31-28)20-21-11-12-22-7-3-4-8-23(22)17-21/h3-14,17-18H,15-16,19-20H2,1-2H3
InChIKey
MTSVFMKBRNUGPT-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-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

496.21106 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.21834 220.4
[M+Na]+ 519.20028 221.9
[M-H]- 495.20378 229.2
[M+NH4]+ 514.24488 224.1
[M+K]+ 535.17422 218.9
[M+H-H2O]+ 479.20832 206.5
[M+HCOO]- 541.20926 238.6
[M+CH3COO]- 555.22491 251.0
[M+Na-2H]- 517.18573 221.9
[M]+ 496.21051 224.3
[M]- 496.21161 224.3
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.