CID 6447967

Brn 5569854

Structural Information

Molecular Formula
C17H16BrNO3
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2O)O)Br
InChI
InChI=1S/C17H16BrNO3/c1-19(2)12-6-3-11(4-7-12)5-8-15(20)13-9-14(18)17(22)10-16(13)21/h3-10,21-22H,1-2H3/b8-5+
InChIKey
AAELPVAYPRJXSF-VMPITWQZSA-N
Compound name
(E)-1-(5-bromo-2,4-dihydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.03137 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.03865 175.0
[M+Na]+ 384.02059 184.7
[M-H]- 360.02409 183.0
[M+NH4]+ 379.06519 190.5
[M+K]+ 399.99453 172.5
[M+H-H2O]+ 344.02863 172.9
[M+HCOO]- 406.02957 194.0
[M+CH3COO]- 420.04522 212.3
[M+Na-2H]- 382.00604 176.9
[M]+ 361.03082 194.0
[M]- 361.03192 194.0
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.