CID 108492

Einecs 262-376-4

Structural Information

Molecular Formula
C24H24O4
SMILES
CCOC(=O)C=CC1=CC=C(C=C1)C=CC2=CC=C(C=C2)C=CC(=O)OCC
InChI
InChI=1S/C24H24O4/c1-3-27-23(25)17-15-21-11-7-19(8-12-21)5-6-20-9-13-22(14-10-20)16-18-24(26)28-4-2/h5-18H,3-4H2,1-2H3
InChIKey
KOWIGDVPOVFBLV-UHFFFAOYSA-N
Compound name
ethyl 3-[4-[2-[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]ethenyl]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

26
Patents

376.16745 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17473 193.1
[M+Na]+ 399.15667 198.1
[M-H]- 375.16017 198.7
[M+NH4]+ 394.20127 204.8
[M+K]+ 415.13061 192.4
[M+H-H2O]+ 359.16471 184.0
[M+HCOO]- 421.16565 213.9
[M+CH3COO]- 435.18130 216.8
[M+Na-2H]- 397.14212 192.0
[M]+ 376.16690 197.0
[M]- 376.16800 197.0
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

patents stripe