CID 5972385

(e)-4-(3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl)benzoic acid

Structural Information

Molecular Formula
C17H14O4
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C17H14O4/c1-21-15-9-7-13(8-10-15)16(18)11-4-12-2-5-14(6-3-12)17(19)20/h2-11H,1H3,(H,19,20)/b11-4+
InChIKey
GQUJUYRCDKOOAM-NYYWCZLTSA-N
Compound name
4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

282.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 163.1
[M+Na]+ 305.07842 169.8
[M-H]- 281.08192 168.5
[M+NH4]+ 300.12302 177.8
[M+K]+ 321.05236 166.0
[M+H-H2O]+ 265.08646 155.5
[M+HCOO]- 327.08740 184.4
[M+CH3COO]- 341.10305 197.7
[M+Na-2H]- 303.06387 165.3
[M]+ 282.08865 164.4
[M]- 282.08975 164.4
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.