CID 504998

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

Structural Information

Molecular Formula
C25H21N3O2
SMILES
C1=CC=C(C=C1)CN(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C25H21N3O2/c29-23(25-26-13-6-14-27-25)16-24(30)28(17-19-7-2-1-3-8-19)18-20-11-12-21-9-4-5-10-22(21)15-20/h1-15H,16-18H2
InChIKey
ZREJARNJKSVHGW-UHFFFAOYSA-N
Compound name
N-benzyl-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1634 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17068 195.9
[M+Na]+ 418.15262 199.8
[M-H]- 394.15612 203.6
[M+NH4]+ 413.19722 203.7
[M+K]+ 434.12656 194.0
[M+H-H2O]+ 378.16066 183.0
[M+HCOO]- 440.16160 214.6
[M+CH3COO]- 454.17725 203.8
[M+Na-2H]- 416.13807 200.7
[M]+ 395.16285 196.2
[M]- 395.16395 196.2
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.