CID 367428

Nsc637148

Structural Information

Molecular Formula
C20H20O4
SMILES
CCOC(=O)C(=CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OCC
InChI
InChI=1S/C20H20O4/c1-3-23-19(21)18(20(22)24-4-2)14-15-10-12-17(13-11-15)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3
InChIKey
SIQFBETXJAVNCI-UHFFFAOYSA-N
Compound name
diethyl 2-[(4-phenylphenyl)methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

324.13617 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 177.6
[M+Na]+ 347.12539 182.4
[M-H]- 323.12889 183.6
[M+NH4]+ 342.16999 191.0
[M+K]+ 363.09933 179.3
[M+H-H2O]+ 307.13343 169.1
[M+HCOO]- 369.13437 198.4
[M+CH3COO]- 383.15002 207.4
[M+Na-2H]- 345.11084 178.1
[M]+ 324.13562 180.6
[M]- 324.13672 180.6
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