CID 505014

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

Structural Information

Molecular Formula
C28H27N3O2
SMILES
CC(C)CC1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C28H27N3O2/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/h3-14,16-17,20H,15,18-19H2,1-2H3
InChIKey
GJXZJPPLWHRVPC-UHFFFAOYSA-N
Compound name
N-[3-(2-methylpropyl)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

437.21033 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.21761 209.3
[M+Na]+ 460.19955 212.3
[M-H]- 436.20305 216.9
[M+NH4]+ 455.24415 215.5
[M+K]+ 476.17349 206.7
[M+H-H2O]+ 420.20759 196.2
[M+HCOO]- 482.20853 225.9
[M+CH3COO]- 496.22418 237.2
[M+Na-2H]- 458.18500 210.7
[M]+ 437.20978 210.4
[M]- 437.21088 210.4
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.