CID 505013

N-[3-(2-methylprop-1-enyl)phenyl]-n-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide

Structural Information

Molecular Formula
C28H25N3O2
SMILES
CC(=CC1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4)C
InChI
InChI=1S/C28H25N3O2/c1-20(2)15-21-7-5-10-25(17-21)31(27(33)18-26(32)28-29-13-6-14-30-28)19-22-11-12-23-8-3-4-9-24(23)16-22/h3-17H,18-19H2,1-2H3
InChIKey
IJKDJXGIUYNJKI-UHFFFAOYSA-N
Compound name
N-[3-(2-methylprop-1-enyl)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

435.19467 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.20195 208.6
[M+Na]+ 458.18389 212.0
[M-H]- 434.18739 216.3
[M+NH4]+ 453.22849 214.9
[M+K]+ 474.15783 205.8
[M+H-H2O]+ 418.19193 195.6
[M+HCOO]- 480.19287 225.4
[M+CH3COO]- 494.20852 235.9
[M+Na-2H]- 456.16934 210.0
[M]+ 435.19412 209.0
[M]- 435.19522 209.0
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.