CID 5853527

Nsc660295

Structural Information

Molecular Formula
C16H14O3
SMILES
COC1=CC=CC(=C1O)/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14O3/c1-19-15-9-5-8-13(16(15)18)10-11-14(17)12-6-3-2-4-7-12/h2-11,18H,1H3/b11-10+
InChIKey
UIZYRMBJSZYZAK-ZHACJKMWSA-N
Compound name
(E)-3-(2-hydroxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

254.0943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 156.7
[M+Na]+ 277.08352 164.1
[M-H]- 253.08702 162.3
[M+NH4]+ 272.12812 172.9
[M+K]+ 293.05746 160.0
[M+H-H2O]+ 237.09156 149.5
[M+HCOO]- 299.09250 179.0
[M+CH3COO]- 313.10815 192.4
[M+Na-2H]- 275.06897 160.7
[M]+ 254.09375 157.6
[M]- 254.09485 157.6
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.