CID 505023

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

Structural Information

Molecular Formula
C28H26N4O4
SMILES
CN(CCO)C(=O)C1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C28H26N4O4/c1-31(14-15-33)28(36)23-8-4-9-24(17-23)32(26(35)18-25(34)27-29-12-5-13-30-27)19-20-10-11-21-6-2-3-7-22(21)16-20/h2-13,16-17,33H,14-15,18-19H2,1H3
InChIKey
GPDCZXCWFCYXST-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-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

482.1954 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.20268 215.3
[M+Na]+ 505.18462 216.8
[M-H]- 481.18812 223.0
[M+NH4]+ 500.22922 218.9
[M+K]+ 521.15856 213.3
[M+H-H2O]+ 465.19266 202.0
[M+HCOO]- 527.19360 232.5
[M+CH3COO]- 541.20925 246.2
[M+Na-2H]- 503.17007 217.0
[M]+ 482.19485 217.2
[M]- 482.19595 217.2
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.