CID 505115

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

Structural Information

Molecular Formula
C27H25N3O3
SMILES
CC(C)OC1=CC=CC(=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C27H25N3O3/c1-19(2)33-24-10-5-9-23(16-24)30(26(32)17-25(31)27-28-13-6-14-29-27)18-20-11-12-21-7-3-4-8-22(21)15-20/h3-16,19H,17-18H2,1-2H3
InChIKey
NDHVWKJJWIEVRD-UHFFFAOYSA-N
Compound name
N-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1896 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.19688 207.6
[M+Na]+ 462.17882 210.8
[M-H]- 438.18232 215.4
[M+NH4]+ 457.22342 213.6
[M+K]+ 478.15276 206.3
[M+H-H2O]+ 422.18686 194.5
[M+HCOO]- 484.18780 224.7
[M+CH3COO]- 498.20345 236.4
[M+Na-2H]- 460.16427 209.7
[M]+ 439.18905 209.8
[M]- 439.19015 209.8
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.