CID 5920485

Nsc637287

Structural Information

Molecular Formula
C19H18O3
SMILES
CCOC(=O)/C(=C/C1=CC=C(C=C1)C2=CC=CC=C2)/C(=O)C
InChI
InChI=1S/C19H18O3/c1-3-22-19(21)18(14(2)20)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/b18-13+
InChIKey
IRVBKDPZPMVYTR-QGOAFFKASA-N
Compound name
ethyl (2E)-3-oxo-2-[(4-phenylphenyl)methylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.12558 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13286 169.5
[M+Na]+ 317.11480 174.8
[M-H]- 293.11830 175.7
[M+NH4]+ 312.15940 184.2
[M+K]+ 333.08874 171.2
[M+H-H2O]+ 277.12284 161.5
[M+HCOO]- 339.12378 190.4
[M+CH3COO]- 353.13943 203.0
[M+Na-2H]- 315.10025 170.5
[M]+ 294.12503 170.8
[M]- 294.12613 170.8
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.