CID 236698

Ns00063838

Structural Information

Molecular Formula
C16H14O3
SMILES
COC1=CC=C(C=C1)C=C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H14O3/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChIKey
NHUQYXSTNXLJIW-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-2-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

254.0943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.101576 157.3
[M+Na]+ 277.083518 163.4
[M-H]- 253.087024 162.5
[M+NH4]+ 272.128123 173.0
[M+K]+ 293.057458 159.7
[M+H-H2O]+ 237.091560 149.9
[M+HCOO]- 299.092501 178.5
[M+CH3COO]- 313.108151 192.1
[M+Na-2H]- 275.068966 160.7
[M]+ 254.09375142 157.1
[M]- 254.09484858 157.1
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

patents stripe