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]+ 321.123376 172.6
[M+Na]+ 343.105318 177.0
[M-H]- 319.108824 179.4
[M+NH4]+ 338.149923 185.7
[M+K]+ 359.079258 168.3
[M+H-H2O]+ 303.113360 167.9
[M+HCOO]- 365.114301 196.1
[M+CH3COO]- 379.129951 205.3
[M+Na-2H]- 341.090766 179.9
[M]+ 320.11555142 170.9
[M]- 320.11664858 170.9
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.