CID 5275162

2-[2-(1-naphthyl)phenoxy]-n-(2-nitrophenyl)acetamide

Structural Information

Molecular Formula
C24H18N2O4
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=CC=CC=C3OCC(=O)NC4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C24H18N2O4/c27-24(25-21-13-4-5-14-22(21)26(28)29)16-30-23-15-6-3-11-20(23)19-12-7-9-17-8-1-2-10-18(17)19/h1-15H,16H2,(H,25,27)
InChIKey
PQNFDVOYZMNDNM-UHFFFAOYSA-N
Compound name
2-(2-naphthalen-1-ylphenoxy)-N-(2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.12665 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13393 193.3
[M+Na]+ 421.11587 196.8
[M-H]- 397.11937 203.0
[M+NH4]+ 416.16047 202.5
[M+K]+ 437.08981 187.7
[M+H-H2O]+ 381.12391 186.5
[M+HCOO]- 443.12485 216.0
[M+CH3COO]- 457.14050 219.1
[M+Na-2H]- 419.10132 199.9
[M]+ 398.12610 192.0
[M]- 398.12720 192.0
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.