CID 504994

N-(2-naphthylmethyl)-3-oxo-n-phenyl-3-pyrimidin-2-yl-propanamide

Structural Information

Molecular Formula
C24H19N3O2
SMILES
C1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C24H19N3O2/c28-22(24-25-13-6-14-26-24)16-23(29)27(21-9-2-1-3-10-21)17-18-11-12-19-7-4-5-8-20(19)15-18/h1-15H,16-17H2
InChIKey
RUVGGCVQWUYRIZ-UHFFFAOYSA-N
Compound name
N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.14774 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15502 191.5
[M+Na]+ 404.13696 195.8
[M-H]- 380.14046 199.4
[M+NH4]+ 399.18156 199.8
[M+K]+ 420.11090 190.3
[M+H-H2O]+ 364.14500 178.8
[M+HCOO]- 426.14594 210.5
[M+CH3COO]- 440.16159 199.8
[M+Na-2H]- 402.12241 196.8
[M]+ 381.14719 191.4
[M]- 381.14829 191.4
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.