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]+ 336.134256 174.1
[M+Na]+ 358.116198 177.6
[M-H]- 334.119704 180.9
[M+NH4]+ 353.160803 186.3
[M+K]+ 374.090138 169.0
[M+H-H2O]+ 318.124240 169.2
[M+HCOO]- 380.125181 198.6
[M+CH3COO]- 394.140831 209.6
[M+Na-2H]- 356.101646 182.3
[M]+ 335.12643142 171.7
[M]- 335.12752858 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.