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]+ 355.08440 179.2
[M+Na]+ 377.06634 195.4
[M+NH4]+ 372.11094 187.8
[M+K]+ 393.04028 188.6
[M-H]- 353.06984 186.3
[M+Na-2H]- 375.05179 188.0
[M]+ 354.07657 183.8
[M]- 354.07767 183.8
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.