CID 5059144

477334-09-1

Structural Information

Molecular Formula
C19H16N2O3
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CCNC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H16N2O3/c22-19(16-9-8-14-4-1-2-5-15(14)12-16)10-11-20-17-6-3-7-18(13-17)21(23)24/h1-9,12-13,20H,10-11H2
InChIKey
AGNLXLCJQMVEIA-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-3-(3-nitroanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1161 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12338 172.8
[M+Na]+ 343.10532 187.8
[M+NH4]+ 338.14992 181.2
[M+K]+ 359.07926 181.8
[M-H]- 319.10882 179.8
[M+Na-2H]- 341.09077 181.8
[M]+ 320.11555 176.9
[M]- 320.11665 176.9
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.