CID 5935779

Nsc643184

Structural Information

Molecular Formula
C19H18O5
SMILES
CCOC(=O)/C(=C\C1=CC(=C(C=C1)O)OC)/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H18O5/c1-3-24-19(22)15(18(21)14-7-5-4-6-8-14)11-13-9-10-16(20)17(12-13)23-2/h4-12,20H,3H2,1-2H3/b15-11-
InChIKey
SBZMQKDOZQTPFA-PTNGSMBKSA-N
Compound name
ethyl (Z)-2-benzoyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.11542 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 175.2
[M+Na]+ 349.10464 180.7
[M-H]- 325.10814 180.3
[M+NH4]+ 344.14924 188.0
[M+K]+ 365.07858 177.7
[M+H-H2O]+ 309.11268 167.1
[M+HCOO]- 371.11362 195.0
[M+CH3COO]- 385.12927 206.0
[M+Na-2H]- 347.09009 175.2
[M]+ 326.11487 178.0
[M]- 326.11597 178.0
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.