CID 5115810

882079-28-9

Structural Information

Molecular Formula
C19H17N3O3
SMILES
C1=CC=C2C(=C1)C=CC=C2CNCC(=O)NC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C19H17N3O3/c23-19(21-17-10-3-4-11-18(17)22(24)25)13-20-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,20H,12-13H2,(H,21,23)
InChIKey
HUWKAHSNBYHOCY-UHFFFAOYSA-N
Compound name
2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

335.12698 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13426 176.6
[M+Na]+ 358.11620 190.2
[M+NH4]+ 353.16080 184.4
[M+K]+ 374.09014 184.7
[M-H]- 334.11970 183.7
[M+Na-2H]- 356.10165 185.2
[M]+ 335.12643 180.4
[M]- 335.12753 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.