CID 4466801

3-(4-chloro-3-nitroanilino)-1-(2-naphthyl)-1-propanone

Structural Information

Molecular Formula
C19H15ClN2O3
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CCNC3=CC(=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C19H15ClN2O3/c20-17-8-7-16(12-18(17)22(24)25)21-10-9-19(23)15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11-12,21H,9-10H2
InChIKey
XQSKXYNDQXTXHR-UHFFFAOYSA-N
Compound name
3-(4-chloro-3-nitroanilino)-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.07712 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.084396 180.9
[M+Na]+ 377.066338 186.7
[M-H]- 353.069844 187.7
[M+NH4]+ 372.110943 193.8
[M+K]+ 393.040278 176.7
[M+H-H2O]+ 337.074380 177.4
[M+HCOO]- 399.075321 199.9
[M+CH3COO]- 413.090971 210.0
[M+Na-2H]- 375.051786 186.9
[M]+ 354.07657142 182.2
[M]- 354.07766858 182.2
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.