CID 4342104

477319-16-7

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CC1=C(C=C(C=C1)NCCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C
InChI
InChI=1S/C17H18N2O3/c1-12-6-7-15(10-13(12)2)18-9-8-17(20)14-4-3-5-16(11-14)19(21)22/h3-7,10-11,18H,8-9H2,1-2H3
InChIKey
NXYUJFXMYHKXJZ-UHFFFAOYSA-N
Compound name
3-(3,4-dimethylanilino)-1-(3-nitrophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.13174 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 169.2
[M+Na]+ 321.12096 183.0
[M+NH4]+ 316.16556 176.6
[M+K]+ 337.09490 178.3
[M-H]- 297.12446 175.0
[M+Na-2H]- 319.10641 176.9
[M]+ 298.13119 172.7
[M]- 298.13229 172.7
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.