CID 505108

N,n,2-trimethyl-5-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide

Structural Information

Molecular Formula
C28H26N4O3
SMILES
CC1=C(C=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4)C(=O)N(C)C
InChI
InChI=1S/C28H26N4O3/c1-19-9-12-23(16-24(19)28(35)31(2)3)32(26(34)17-25(33)27-29-13-6-14-30-27)18-20-10-11-21-7-4-5-8-22(21)15-20/h4-16H,17-18H2,1-3H3
InChIKey
SSPOTJDMAPTOEM-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-5-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.2005 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.20778 214.3
[M+Na]+ 489.18972 217.5
[M-H]- 465.19322 223.8
[M+NH4]+ 484.23432 219.7
[M+K]+ 505.16366 213.9
[M+H-H2O]+ 449.19776 201.0
[M+HCOO]- 511.19870 232.8
[M+CH3COO]- 525.21435 247.5
[M+Na-2H]- 487.17517 215.3
[M]+ 466.19995 217.1
[M]- 466.20105 217.1
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.