CID 5351390

Nsc643164

Structural Information

Molecular Formula
C17H16BrNO
SMILES
CN(C)C1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)Br
InChI
InChI=1S/C17H16BrNO/c1-19(2)16-10-8-13(12-15(16)18)9-11-17(20)14-6-4-3-5-7-14/h3-12H,1-2H3/b11-9+
InChIKey
OQRRXBHCKXWVFK-PKNBQFBNSA-N
Compound name
(E)-3-[3-bromo-4-(dimethylamino)phenyl]-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.04153 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.04881 169.3
[M+Na]+ 352.03075 178.8
[M-H]- 328.03425 179.4
[M+NH4]+ 347.07535 187.2
[M+K]+ 368.00469 166.9
[M+H-H2O]+ 312.03879 167.3
[M+HCOO]- 374.03973 191.0
[M+CH3COO]- 388.05538 210.6
[M+Na-2H]- 350.01620 173.5
[M]+ 329.04098 188.5
[M]- 329.04208 188.5
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.