CID 5702885

20431-58-7

Structural Information

Molecular Formula
C17H16N2O3
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H16N2O3/c1-18(2)15-8-3-13(4-9-15)5-12-17(20)14-6-10-16(11-7-14)19(21)22/h3-12H,1-2H3/b12-5+
InChIKey
QIJHFXFAZCYBGP-LFYBBSHMSA-N
Compound name
(E)-3-[4-(dimethylamino)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

296.1161 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 167.6
[M+Na]+ 319.10532 181.3
[M+NH4]+ 314.14992 175.0
[M+K]+ 335.07926 176.9
[M-H]- 295.10882 173.5
[M+Na-2H]- 317.09077 175.8
[M]+ 296.11555 171.1
[M]- 296.11665 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe