CID 5702885

3-[4-(dimethylamino)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one

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 168.6
[M+Na]+ 319.10532 173.6
[M-H]- 295.10882 176.4
[M+NH4]+ 314.14992 182.9
[M+K]+ 335.07926 166.7
[M+H-H2O]+ 279.11336 164.6
[M+HCOO]- 341.11430 194.0
[M+CH3COO]- 355.12995 203.2
[M+Na-2H]- 317.09077 173.0
[M]+ 296.11555 168.1
[M]- 296.11665 168.1
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