CID 6477359

Nsc647469

Structural Information

Molecular Formula
C21H20O5
SMILES
C/C(=C(/C(=C/C1=CC=C(C=C1)OC)/C(=O)OC)\C(=O)O)/C2=CC=CC=C2
InChI
InChI=1S/C21H20O5/c1-14(16-7-5-4-6-8-16)19(20(22)23)18(21(24)26-3)13-15-9-11-17(25-2)12-10-15/h4-13H,1-3H3,(H,22,23)/b18-13-,19-14+
InChIKey
ZDZQBUYPFIHYOD-HJGWPUIUSA-N
Compound name
(E)-2-[(Z)-3-methoxy-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-3-phenylbut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13107 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 182.9
[M+Na]+ 375.12029 186.4
[M-H]- 351.12379 187.5
[M+NH4]+ 370.16489 194.1
[M+K]+ 391.09423 183.6
[M+H-H2O]+ 335.12833 174.8
[M+HCOO]- 397.12927 200.3
[M+CH3COO]- 411.14492 211.2
[M+Na-2H]- 373.10574 180.3
[M]+ 352.13052 184.0
[M]- 352.13162 184.0
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.