CID 505011

N-[3-(morpholine-4-carbonyl)-phenyl]-n-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide

Structural Information

Molecular Formula
C29H26N4O4
SMILES
C1COCCN1C(=O)C2=CC(=CC=C2)N(CC3=CC4=CC=CC=C4C=C3)C(=O)CC(=O)C5=NC=CC=N5
InChI
InChI=1S/C29H26N4O4/c34-26(28-30-11-4-12-31-28)19-27(35)33(20-21-9-10-22-5-1-2-6-23(22)17-21)25-8-3-7-24(18-25)29(36)32-13-15-37-16-14-32/h1-12,17-18H,13-16,19-20H2
InChIKey
SOKKHFYKOBZUOB-UHFFFAOYSA-N
Compound name
N-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.1954 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.20268 217.5
[M+Na]+ 517.18462 218.2
[M-H]- 493.18812 226.3
[M+NH4]+ 512.22922 217.3
[M+K]+ 533.15856 214.3
[M+H-H2O]+ 477.19266 202.2
[M+HCOO]- 539.19360 228.7
[M+CH3COO]- 553.20925 222.1
[M+Na-2H]- 515.17007 218.7
[M]+ 494.19485 214.8
[M]- 494.19595 214.8
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.