CID 505006

N-(2-chloro-phenyl)-n-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide

Structural Information

Molecular Formula
C24H18ClN3O2
SMILES
C1=CC=C2C=C(C=CC2=C1)CN(C3=CC=CC=C3Cl)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C24H18ClN3O2/c25-20-8-3-4-9-21(20)28(23(30)15-22(29)24-26-12-5-13-27-24)16-17-10-11-18-6-1-2-7-19(18)14-17/h1-14H,15-16H2
InChIKey
YXSMKLZRMIPHPR-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.10876 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.11604 197.5
[M+Na]+ 438.09798 203.6
[M-H]- 414.10148 205.6
[M+NH4]+ 433.14258 205.8
[M+K]+ 454.07192 196.8
[M+H-H2O]+ 398.10602 185.3
[M+HCOO]- 460.10696 212.1
[M+CH3COO]- 474.12261 205.9
[M+Na-2H]- 436.08343 201.7
[M]+ 415.10821 200.6
[M]- 415.10931 200.6
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.