CID 505016

N-methyl-3-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]-n-phenyl-benzamide

Structural Information

Molecular Formula
C32H26N4O3
SMILES
CN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)N(CC3=CC4=CC=CC=C4C=C3)C(=O)CC(=O)C5=NC=CC=N5
InChI
InChI=1S/C32H26N4O3/c1-35(27-12-3-2-4-13-27)32(39)26-11-7-14-28(20-26)36(30(38)21-29(37)31-33-17-8-18-34-31)22-23-15-16-24-9-5-6-10-25(24)19-23/h2-20H,21-22H2,1H3
InChIKey
LOZBSIDKHGQANY-UHFFFAOYSA-N
Compound name
N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.2005 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.20778 224.1
[M+Na]+ 537.18972 225.3
[M-H]- 513.19322 235.4
[M+NH4]+ 532.23432 226.1
[M+K]+ 553.16366 220.6
[M+H-H2O]+ 497.19776 208.9
[M+HCOO]- 559.19870 241.8
[M+CH3COO]- 573.21435 229.5
[M+Na-2H]- 535.17517 226.3
[M]+ 514.19995 224.5
[M]- 514.20105 224.5
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.