CID 504963

4-(1-naphthyl)-n-(2-naphthylmethyl)-3,4-dioxo-n-phenyl-butanamide

Structural Information

Molecular Formula
C31H23NO3
SMILES
C1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C(=O)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C31H23NO3/c33-29(31(35)28-16-8-12-24-10-6-7-15-27(24)28)20-30(34)32(26-13-2-1-3-14-26)21-22-17-18-23-9-4-5-11-25(23)19-22/h1-19H,20-21H2
InChIKey
DPUSBSYRDOQGHN-UHFFFAOYSA-N
Compound name
4-naphthalen-1-yl-N-(naphthalen-2-ylmethyl)-3,4-dioxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.1678 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.17508 212.5
[M+Na]+ 480.15702 216.2
[M-H]- 456.16052 223.5
[M+NH4]+ 475.20162 220.9
[M+K]+ 496.13096 210.5
[M+H-H2O]+ 440.16506 200.0
[M+HCOO]- 502.16600 231.6
[M+CH3COO]- 516.18165 220.0
[M+Na-2H]- 478.14247 215.5
[M]+ 457.16725 213.9
[M]- 457.16835 213.9
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.