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 174.1
[M+Na]+ 358.11620 177.6
[M-H]- 334.11970 180.9
[M+NH4]+ 353.16080 186.3
[M+K]+ 374.09014 169.0
[M+H-H2O]+ 318.12424 169.2
[M+HCOO]- 380.12518 198.6
[M+CH3COO]- 394.14083 209.6
[M+Na-2H]- 356.10165 182.3
[M]+ 335.12643 171.7
[M]- 335.12753 171.7
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.