CID 12383728

37527-56-3

Structural Information

Molecular Formula
C24H22O4
SMILES
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCC
InChI
InChI=1S/C24H22O4/c1-3-27-23(25)21-13-9-19(10-14-21)17-5-7-18(8-6-17)20-11-15-22(16-12-20)24(26)28-4-2/h5-16H,3-4H2,1-2H3
InChIKey
SKTBNGALWHHGKN-UHFFFAOYSA-N
Compound name
ethyl 4-[4-(4-ethoxycarbonylphenyl)phenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

374.1518 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15908 190.7
[M+Na]+ 397.14102 206.2
[M+NH4]+ 392.18562 197.8
[M+K]+ 413.11496 197.7
[M-H]- 373.14452 196.7
[M+Na-2H]- 395.12647 200.6
[M]+ 374.15125 194.7
[M]- 374.15235 194.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe